USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2059 GLN : amide:sc= 0.00307 X(o=-0.0047,f=-0.011) USER MOD Set 1.2: A2133 HIS : no HD1:sc=-0.00773 X(o=-0.0047,f=-0.07) USER MOD Set 2.1: A2126 HIS : no HD1:sc= -0.0445 X(o=-1.3,f=-1.4) USER MOD Set 2.2: A2130 GLN : amide:sc= -1.22 K(o=-1.3,f=-3!) USER MOD Single : A2060 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A2061 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A2062 THR OG1 : rot 180:sc= 0 USER MOD Single : A2065 THR OG1 : rot 78:sc= 1.2 USER MOD Single : A2071 THR OG1 : rot 154:sc= -1.1 USER MOD Single : A2073 THR OG1 : rot 78:sc= 1.28 USER MOD Single : A2079 THR OG1 : rot 37:sc= 0.195 USER MOD Single : A2082 SER OG : rot -26:sc= 0.809 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot -166:sc= -1.76! USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0.0911 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.611 USER MOD Single : A2104 ASN : amide:sc= -0.615! K(o=-0.62!,f=-1.2) USER MOD Single : A2105 THR OG1 : rot 69:sc= 0.856 USER MOD Single : A2107 THR OG1 : rot 64:sc= 1.24 USER MOD Single : A2108 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.068) USER MOD Single : A2109 ASN : amide:sc= -0.809 K(o=-0.81,f=-1.5!) USER MOD Single : A2110 THR OG1 : rot -72:sc= 0.646 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A2122 HIS : no HD1:sc=-0.00969 X(o=-0.0097,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A2129 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A2131 HIS : no HE2:sc= -0.816 X(o=-0.82,f=-0.39) USER MOD Single : A2134 THR OG1 : rot 77:sc= 0.495 USER MOD ----------------------------------------------------------------- ATOM 198 N GLN A2059 11.281 7.005 1.881 1.00 0.87 N ATOM 199 CA GLN A2059 10.645 5.858 1.264 1.00 0.75 C ATOM 200 C GLN A2059 9.162 5.843 1.612 1.00 0.58 C ATOM 201 O GLN A2059 8.320 5.650 0.742 1.00 0.54 O ATOM 202 CB GLN A2059 11.313 4.560 1.714 1.00 0.80 C ATOM 203 CG GLN A2059 12.780 4.473 1.335 1.00 1.17 C ATOM 204 CD GLN A2059 13.407 3.152 1.726 1.00 1.86 C ATOM 205 OE1 GLN A2059 13.918 2.999 2.831 1.00 2.83 O ATOM 206 NE2 GLN A2059 13.377 2.191 0.817 1.00 1.87 N ATOM 0 HA GLN A2059 10.756 5.936 0.182 1.00 0.75 H new ATOM 0 HB2 GLN A2059 11.219 4.468 2.796 1.00 0.80 H new ATOM 0 HB3 GLN A2059 10.781 3.716 1.275 1.00 0.80 H new ATOM 0 HG2 GLN A2059 12.882 4.615 0.259 1.00 1.17 H new ATOM 0 HG3 GLN A2059 13.324 5.285 1.816 1.00 1.17 H new ATOM 0 HE21 GLN A2059 12.942 2.360 -0.090 1.00 1.87 H new ATOM 0 HE22 GLN A2059 13.789 1.281 1.023 1.00 1.87 H new ATOM 215 N GLN A2060 8.853 6.073 2.888 1.00 0.54 N ATOM 216 CA GLN A2060 7.475 6.091 3.365 1.00 0.45 C ATOM 217 C GLN A2060 6.601 7.058 2.578 1.00 0.44 C ATOM 218 O GLN A2060 5.488 6.712 2.217 1.00 0.42 O ATOM 219 CB GLN A2060 7.423 6.450 4.849 1.00 0.55 C ATOM 220 CG GLN A2060 8.107 5.433 5.738 1.00 0.57 C ATOM 221 CD GLN A2060 7.946 5.742 7.213 1.00 0.81 C ATOM 222 OE1 GLN A2060 7.840 6.902 7.610 1.00 1.38 O ATOM 223 NE2 GLN A2060 7.935 4.708 8.034 1.00 1.01 N ATOM 0 H GLN A2060 9.547 6.251 3.614 1.00 0.54 H new ATOM 0 HA GLN A2060 7.080 5.086 3.216 1.00 0.45 H new ATOM 0 HB2 GLN A2060 7.891 7.423 4.996 1.00 0.55 H new ATOM 0 HB3 GLN A2060 6.381 6.547 5.155 1.00 0.55 H new ATOM 0 HG2 GLN A2060 7.699 4.444 5.532 1.00 0.57 H new ATOM 0 HG3 GLN A2060 9.168 5.397 5.492 1.00 0.57 H new ATOM 0 HE21 GLN A2060 8.026 3.762 7.664 1.00 1.01 H new ATOM 0 HE22 GLN A2060 7.836 4.855 9.038 1.00 1.01 H new ATOM 232 N GLN A2061 7.095 8.265 2.310 1.00 0.58 N ATOM 233 CA GLN A2061 6.312 9.236 1.546 1.00 0.61 C ATOM 234 C GLN A2061 5.971 8.682 0.164 1.00 0.51 C ATOM 235 O GLN A2061 4.857 8.850 -0.331 1.00 0.45 O ATOM 236 CB GLN A2061 7.046 10.574 1.420 1.00 0.83 C ATOM 237 CG GLN A2061 8.425 10.480 0.810 1.00 0.89 C ATOM 238 CD GLN A2061 9.057 11.839 0.587 1.00 1.29 C ATOM 239 OE1 GLN A2061 8.786 12.793 1.320 1.00 1.75 O ATOM 240 NE2 GLN A2061 9.904 11.937 -0.424 1.00 1.97 N ATOM 0 H GLN A2061 8.016 8.591 2.604 1.00 0.58 H new ATOM 0 HA GLN A2061 5.385 9.415 2.090 1.00 0.61 H new ATOM 0 HB2 GLN A2061 6.441 11.250 0.816 1.00 0.83 H new ATOM 0 HB3 GLN A2061 7.131 11.022 2.410 1.00 0.83 H new ATOM 0 HG2 GLN A2061 9.067 9.887 1.462 1.00 0.89 H new ATOM 0 HG3 GLN A2061 8.362 9.952 -0.141 1.00 0.89 H new ATOM 0 HE21 GLN A2061 10.100 11.123 -1.006 1.00 1.97 H new ATOM 0 HE22 GLN A2061 10.361 12.827 -0.622 1.00 1.97 H new ATOM 249 N THR A2062 6.939 8.008 -0.436 1.00 0.53 N ATOM 250 CA THR A2062 6.740 7.307 -1.696 1.00 0.50 C ATOM 251 C THR A2062 5.624 6.275 -1.570 1.00 0.39 C ATOM 252 O THR A2062 4.747 6.167 -2.430 1.00 0.42 O ATOM 253 CB THR A2062 8.039 6.595 -2.122 1.00 0.59 C ATOM 254 OG1 THR A2062 9.101 7.553 -2.253 1.00 0.74 O ATOM 255 CG2 THR A2062 7.848 5.839 -3.430 1.00 0.83 C ATOM 0 H THR A2062 7.885 7.931 -0.064 1.00 0.53 H new ATOM 0 HA THR A2062 6.462 8.044 -2.450 1.00 0.50 H new ATOM 0 HB THR A2062 8.301 5.871 -1.351 1.00 0.59 H new ATOM 0 HG1 THR A2062 9.924 7.094 -2.522 1.00 0.74 H new ATOM 0 HG21 THR A2062 8.781 5.347 -3.705 1.00 0.83 H new ATOM 0 HG22 THR A2062 7.065 5.090 -3.307 1.00 0.83 H new ATOM 0 HG23 THR A2062 7.561 6.538 -4.216 1.00 0.83 H new ATOM 263 N LEU A2063 5.650 5.546 -0.472 1.00 0.37 N ATOM 264 CA LEU A2063 4.746 4.433 -0.261 1.00 0.29 C ATOM 265 C LEU A2063 3.364 4.915 0.157 1.00 0.22 C ATOM 266 O LEU A2063 2.355 4.352 -0.257 1.00 0.21 O ATOM 267 CB LEU A2063 5.353 3.506 0.783 1.00 0.30 C ATOM 268 CG LEU A2063 6.823 3.175 0.525 1.00 0.53 C ATOM 269 CD1 LEU A2063 7.322 2.109 1.482 1.00 0.92 C ATOM 270 CD2 LEU A2063 7.031 2.767 -0.928 1.00 0.79 C ATOM 0 H LEU A2063 6.298 5.708 0.299 1.00 0.37 H new ATOM 0 HA LEU A2063 4.615 3.887 -1.195 1.00 0.29 H new ATOM 0 HB2 LEU A2063 5.260 3.968 1.766 1.00 0.30 H new ATOM 0 HB3 LEU A2063 4.780 2.579 0.811 1.00 0.30 H new ATOM 0 HG LEU A2063 7.414 4.073 0.708 1.00 0.53 H new ATOM 0 HD11 LEU A2063 8.370 1.895 1.274 1.00 0.92 H new ATOM 0 HD12 LEU A2063 7.221 2.464 2.507 1.00 0.92 H new ATOM 0 HD13 LEU A2063 6.734 1.200 1.353 1.00 0.92 H new ATOM 0 HD21 LEU A2063 8.083 2.535 -1.094 1.00 0.79 H new ATOM 0 HD22 LEU A2063 6.426 1.888 -1.149 1.00 0.79 H new ATOM 0 HD23 LEU A2063 6.733 3.586 -1.582 1.00 0.79 H new ATOM 282 N ALA A2064 3.329 5.975 0.959 1.00 0.25 N ATOM 283 CA ALA A2064 2.078 6.604 1.361 1.00 0.27 C ATOM 284 C ALA A2064 1.379 7.214 0.155 1.00 0.25 C ATOM 285 O ALA A2064 0.161 7.394 0.148 1.00 0.30 O ATOM 286 CB ALA A2064 2.337 7.670 2.413 1.00 0.37 C ATOM 0 H ALA A2064 4.162 6.419 1.346 1.00 0.25 H new ATOM 0 HA ALA A2064 1.429 5.840 1.790 1.00 0.27 H new ATOM 0 HB1 ALA A2064 1.393 8.131 2.704 1.00 0.37 H new ATOM 0 HB2 ALA A2064 2.802 7.214 3.287 1.00 0.37 H new ATOM 0 HB3 ALA A2064 3.002 8.431 2.004 1.00 0.37 H new ATOM 292 N THR A2065 2.162 7.530 -0.864 1.00 0.24 N ATOM 293 CA THR A2065 1.614 8.022 -2.115 1.00 0.27 C ATOM 294 C THR A2065 1.158 6.841 -2.960 1.00 0.24 C ATOM 295 O THR A2065 0.117 6.891 -3.611 1.00 0.29 O ATOM 296 CB THR A2065 2.646 8.857 -2.895 1.00 0.35 C ATOM 297 OG1 THR A2065 3.139 9.923 -2.071 1.00 0.40 O ATOM 298 CG2 THR A2065 2.028 9.440 -4.157 1.00 0.42 C ATOM 0 H THR A2065 3.179 7.454 -0.848 1.00 0.24 H new ATOM 0 HA THR A2065 0.767 8.670 -1.889 1.00 0.27 H new ATOM 0 HB THR A2065 3.469 8.201 -3.177 1.00 0.35 H new ATOM 0 HG1 THR A2065 3.798 9.569 -1.438 1.00 0.40 H new ATOM 0 HG21 THR A2065 2.776 10.026 -4.691 1.00 0.42 H new ATOM 0 HG22 THR A2065 1.676 8.631 -4.797 1.00 0.42 H new ATOM 0 HG23 THR A2065 1.189 10.082 -3.888 1.00 0.42 H new ATOM 306 N LEU A2066 1.943 5.771 -2.909 1.00 0.21 N ATOM 307 CA LEU A2066 1.639 4.540 -3.623 1.00 0.21 C ATOM 308 C LEU A2066 0.298 3.968 -3.195 1.00 0.18 C ATOM 309 O LEU A2066 -0.621 3.869 -3.994 1.00 0.20 O ATOM 310 CB LEU A2066 2.737 3.506 -3.369 1.00 0.24 C ATOM 311 CG LEU A2066 2.410 2.079 -3.820 1.00 0.30 C ATOM 312 CD1 LEU A2066 1.961 2.059 -5.273 1.00 0.37 C ATOM 313 CD2 LEU A2066 3.614 1.174 -3.620 1.00 0.36 C ATOM 0 H LEU A2066 2.809 5.734 -2.371 1.00 0.21 H new ATOM 0 HA LEU A2066 1.589 4.774 -4.686 1.00 0.21 H new ATOM 0 HB2 LEU A2066 3.644 3.831 -3.878 1.00 0.24 H new ATOM 0 HB3 LEU A2066 2.958 3.490 -2.302 1.00 0.24 H new ATOM 0 HG LEU A2066 1.589 1.706 -3.208 1.00 0.30 H new ATOM 0 HD11 LEU A2066 1.735 1.035 -5.570 1.00 0.37 H new ATOM 0 HD12 LEU A2066 1.069 2.675 -5.387 1.00 0.37 H new ATOM 0 HD13 LEU A2066 2.757 2.452 -5.905 1.00 0.37 H new ATOM 0 HD21 LEU A2066 3.367 0.163 -3.945 1.00 0.36 H new ATOM 0 HD22 LEU A2066 4.453 1.549 -4.207 1.00 0.36 H new ATOM 0 HD23 LEU A2066 3.887 1.160 -2.565 1.00 0.36 H new ATOM 325 N VAL A2067 0.211 3.584 -1.933 1.00 0.17 N ATOM 326 CA VAL A2067 -1.001 2.982 -1.383 1.00 0.18 C ATOM 327 C VAL A2067 -2.223 3.880 -1.596 1.00 0.19 C ATOM 328 O VAL A2067 -3.312 3.394 -1.904 1.00 0.22 O ATOM 329 CB VAL A2067 -0.819 2.670 0.115 1.00 0.21 C ATOM 330 CG1 VAL A2067 -0.428 3.913 0.900 1.00 0.51 C ATOM 331 CG2 VAL A2067 -2.083 2.067 0.682 1.00 0.64 C ATOM 0 H VAL A2067 0.972 3.678 -1.260 1.00 0.17 H new ATOM 0 HA VAL A2067 -1.177 2.049 -1.918 1.00 0.18 H new ATOM 0 HB VAL A2067 -0.008 1.948 0.209 1.00 0.21 H new ATOM 0 HG11 VAL A2067 -0.308 3.656 1.952 1.00 0.51 H new ATOM 0 HG12 VAL A2067 0.512 4.307 0.513 1.00 0.51 H new ATOM 0 HG13 VAL A2067 -1.207 4.668 0.797 1.00 0.51 H new ATOM 0 HG21 VAL A2067 -1.940 1.852 1.741 1.00 0.64 H new ATOM 0 HG22 VAL A2067 -2.907 2.770 0.563 1.00 0.64 H new ATOM 0 HG23 VAL A2067 -2.315 1.143 0.152 1.00 0.64 H new ATOM 341 N ALA A2068 -2.033 5.183 -1.450 1.00 0.19 N ATOM 342 CA ALA A2068 -3.095 6.140 -1.715 1.00 0.23 C ATOM 343 C ALA A2068 -3.500 6.110 -3.184 1.00 0.23 C ATOM 344 O ALA A2068 -4.680 6.000 -3.506 1.00 0.29 O ATOM 345 CB ALA A2068 -2.666 7.536 -1.313 1.00 0.27 C ATOM 0 H ALA A2068 -1.153 5.601 -1.149 1.00 0.19 H new ATOM 0 HA ALA A2068 -3.961 5.858 -1.117 1.00 0.23 H new ATOM 0 HB1 ALA A2068 -3.474 8.238 -1.519 1.00 0.27 H new ATOM 0 HB2 ALA A2068 -2.433 7.553 -0.248 1.00 0.27 H new ATOM 0 HB3 ALA A2068 -1.782 7.823 -1.882 1.00 0.27 H new ATOM 351 N ALA A2069 -2.520 6.194 -4.078 1.00 0.20 N ATOM 352 CA ALA A2069 -2.792 6.139 -5.506 1.00 0.22 C ATOM 353 C ALA A2069 -3.391 4.795 -5.867 1.00 0.23 C ATOM 354 O ALA A2069 -4.230 4.693 -6.759 1.00 0.29 O ATOM 355 CB ALA A2069 -1.523 6.399 -6.300 1.00 0.25 C ATOM 0 H ALA A2069 -1.534 6.300 -3.838 1.00 0.20 H new ATOM 0 HA ALA A2069 -3.512 6.917 -5.759 1.00 0.22 H new ATOM 0 HB1 ALA A2069 -1.745 6.354 -7.366 1.00 0.25 H new ATOM 0 HB2 ALA A2069 -1.134 7.387 -6.052 1.00 0.25 H new ATOM 0 HB3 ALA A2069 -0.778 5.643 -6.053 1.00 0.25 H new ATOM 361 N ALA A2070 -2.967 3.774 -5.143 1.00 0.21 N ATOM 362 CA ALA A2070 -3.485 2.438 -5.317 1.00 0.24 C ATOM 363 C ALA A2070 -4.971 2.399 -4.987 1.00 0.26 C ATOM 364 O ALA A2070 -5.787 2.060 -5.838 1.00 0.34 O ATOM 365 CB ALA A2070 -2.711 1.459 -4.456 1.00 0.25 C ATOM 0 H ALA A2070 -2.253 3.853 -4.419 1.00 0.21 H new ATOM 0 HA ALA A2070 -3.362 2.145 -6.360 1.00 0.24 H new ATOM 0 HB1 ALA A2070 -3.112 0.455 -4.597 1.00 0.25 H new ATOM 0 HB2 ALA A2070 -1.660 1.474 -4.744 1.00 0.25 H new ATOM 0 HB3 ALA A2070 -2.804 1.743 -3.408 1.00 0.25 H new ATOM 371 N THR A2071 -5.319 2.813 -3.772 1.00 0.24 N ATOM 372 CA THR A2071 -6.693 2.716 -3.290 1.00 0.28 C ATOM 373 C THR A2071 -7.613 3.658 -4.045 1.00 0.31 C ATOM 374 O THR A2071 -8.764 3.321 -4.343 1.00 0.37 O ATOM 375 CB THR A2071 -6.772 2.988 -1.771 1.00 0.30 C ATOM 376 OG1 THR A2071 -8.072 2.667 -1.270 1.00 0.38 O ATOM 377 CG2 THR A2071 -6.455 4.429 -1.433 1.00 0.29 C ATOM 0 H THR A2071 -4.666 3.220 -3.102 1.00 0.24 H new ATOM 0 HA THR A2071 -7.029 1.696 -3.474 1.00 0.28 H new ATOM 0 HB THR A2071 -6.024 2.352 -1.299 1.00 0.30 H new ATOM 0 HG1 THR A2071 -8.009 2.443 -0.318 1.00 0.38 H new ATOM 0 HG21 THR A2071 -6.523 4.573 -0.355 1.00 0.29 H new ATOM 0 HG22 THR A2071 -5.446 4.668 -1.768 1.00 0.29 H new ATOM 0 HG23 THR A2071 -7.168 5.085 -1.932 1.00 0.29 H new ATOM 385 N ALA A2072 -7.097 4.823 -4.387 1.00 0.31 N ATOM 386 CA ALA A2072 -7.876 5.792 -5.124 1.00 0.40 C ATOM 387 C ALA A2072 -8.149 5.295 -6.539 1.00 0.42 C ATOM 388 O ALA A2072 -9.114 5.710 -7.172 1.00 0.54 O ATOM 389 CB ALA A2072 -7.187 7.148 -5.137 1.00 0.47 C ATOM 0 H ALA A2072 -6.146 5.118 -4.166 1.00 0.31 H new ATOM 0 HA ALA A2072 -8.835 5.916 -4.621 1.00 0.40 H new ATOM 0 HB1 ALA A2072 -7.794 7.859 -5.698 1.00 0.47 H new ATOM 0 HB2 ALA A2072 -7.064 7.504 -4.114 1.00 0.47 H new ATOM 0 HB3 ALA A2072 -6.209 7.055 -5.609 1.00 0.47 H new ATOM 395 N THR A2073 -7.309 4.386 -7.017 1.00 0.36 N ATOM 396 CA THR A2073 -7.491 3.789 -8.333 1.00 0.40 C ATOM 397 C THR A2073 -8.523 2.662 -8.299 1.00 0.29 C ATOM 398 O THR A2073 -9.374 2.572 -9.184 1.00 0.34 O ATOM 399 CB THR A2073 -6.155 3.264 -8.902 1.00 0.49 C ATOM 400 OG1 THR A2073 -5.257 4.362 -9.115 1.00 0.60 O ATOM 401 CG2 THR A2073 -6.357 2.514 -10.213 1.00 0.58 C ATOM 0 H THR A2073 -6.492 4.045 -6.510 1.00 0.36 H new ATOM 0 HA THR A2073 -7.862 4.576 -8.990 1.00 0.40 H new ATOM 0 HB THR A2073 -5.734 2.569 -8.176 1.00 0.49 H new ATOM 0 HG1 THR A2073 -4.864 4.634 -8.259 1.00 0.60 H new ATOM 0 HG21 THR A2073 -5.394 2.160 -10.582 1.00 0.58 H new ATOM 0 HG22 THR A2073 -7.017 1.663 -10.047 1.00 0.58 H new ATOM 0 HG23 THR A2073 -6.804 3.182 -10.949 1.00 0.58 H new ATOM 409 N VAL A2074 -8.469 1.824 -7.266 1.00 0.20 N ATOM 410 CA VAL A2074 -9.395 0.691 -7.161 1.00 0.22 C ATOM 411 C VAL A2074 -10.830 1.203 -7.059 1.00 0.27 C ATOM 412 O VAL A2074 -11.762 0.610 -7.603 1.00 0.41 O ATOM 413 CB VAL A2074 -9.075 -0.252 -5.959 1.00 0.27 C ATOM 414 CG1 VAL A2074 -7.620 -0.162 -5.580 1.00 0.78 C ATOM 415 CG2 VAL A2074 -9.935 0.026 -4.742 1.00 0.72 C ATOM 0 H VAL A2074 -7.804 1.903 -6.497 1.00 0.20 H new ATOM 0 HA VAL A2074 -9.273 0.096 -8.066 1.00 0.22 H new ATOM 0 HB VAL A2074 -9.306 -1.262 -6.298 1.00 0.27 H new ATOM 0 HG11 VAL A2074 -7.421 -0.828 -4.740 1.00 0.78 H new ATOM 0 HG12 VAL A2074 -7.004 -0.456 -6.430 1.00 0.78 H new ATOM 0 HG13 VAL A2074 -7.381 0.863 -5.295 1.00 0.78 H new ATOM 0 HG21 VAL A2074 -9.665 -0.662 -3.941 1.00 0.72 H new ATOM 0 HG22 VAL A2074 -9.774 1.052 -4.409 1.00 0.72 H new ATOM 0 HG23 VAL A2074 -10.985 -0.112 -4.999 1.00 0.72 H new ATOM 425 N LEU A2075 -10.991 2.318 -6.357 1.00 0.27 N ATOM 426 CA LEU A2075 -12.297 2.952 -6.223 1.00 0.37 C ATOM 427 C LEU A2075 -12.549 3.980 -7.324 1.00 0.42 C ATOM 428 O LEU A2075 -13.667 4.467 -7.488 1.00 1.24 O ATOM 429 CB LEU A2075 -12.434 3.611 -4.853 1.00 0.44 C ATOM 430 CG LEU A2075 -12.245 2.670 -3.663 1.00 0.51 C ATOM 431 CD1 LEU A2075 -12.594 3.370 -2.365 1.00 0.89 C ATOM 432 CD2 LEU A2075 -13.082 1.414 -3.839 1.00 1.04 C ATOM 0 H LEU A2075 -10.235 2.801 -5.872 1.00 0.27 H new ATOM 0 HA LEU A2075 -13.047 2.168 -6.322 1.00 0.37 H new ATOM 0 HB2 LEU A2075 -11.704 4.417 -4.779 1.00 0.44 H new ATOM 0 HB3 LEU A2075 -13.421 4.068 -4.783 1.00 0.44 H new ATOM 0 HG LEU A2075 -11.195 2.379 -3.619 1.00 0.51 H new ATOM 0 HD11 LEU A2075 -12.452 2.682 -1.531 1.00 0.89 H new ATOM 0 HD12 LEU A2075 -11.947 4.237 -2.234 1.00 0.89 H new ATOM 0 HD13 LEU A2075 -13.634 3.695 -2.395 1.00 0.89 H new ATOM 0 HD21 LEU A2075 -12.935 0.756 -2.983 1.00 1.04 H new ATOM 0 HD22 LEU A2075 -14.135 1.686 -3.911 1.00 1.04 H new ATOM 0 HD23 LEU A2075 -12.777 0.898 -4.750 1.00 1.04 H new ATOM 487 N THR A2079 -7.952 12.435 -5.173 1.00 1.12 N ATOM 488 CA THR A2079 -6.526 12.698 -5.287 1.00 0.78 C ATOM 489 C THR A2079 -5.769 11.907 -4.222 1.00 0.67 C ATOM 490 O THR A2079 -6.004 12.086 -3.028 1.00 0.86 O ATOM 491 CB THR A2079 -6.229 14.198 -5.092 1.00 1.25 C ATOM 492 OG1 THR A2079 -7.081 14.981 -5.935 1.00 1.52 O ATOM 493 CG2 THR A2079 -4.775 14.510 -5.400 1.00 1.42 C ATOM 0 HA THR A2079 -6.203 12.395 -6.283 1.00 0.78 H new ATOM 0 HB THR A2079 -6.422 14.449 -4.049 1.00 1.25 H new ATOM 0 HG1 THR A2079 -7.968 14.566 -5.980 1.00 1.52 H new ATOM 0 HG21 THR A2079 -4.593 15.575 -5.254 1.00 1.42 H new ATOM 0 HG22 THR A2079 -4.131 13.937 -4.733 1.00 1.42 H new ATOM 0 HG23 THR A2079 -4.557 14.242 -6.434 1.00 1.42 H new ATOM 501 N PRO A2080 -4.854 11.017 -4.640 1.00 0.48 N ATOM 502 CA PRO A2080 -4.091 10.159 -3.720 1.00 0.48 C ATOM 503 C PRO A2080 -3.298 10.961 -2.694 1.00 0.69 C ATOM 504 O PRO A2080 -3.064 10.505 -1.576 1.00 0.70 O ATOM 505 CB PRO A2080 -3.139 9.405 -4.647 1.00 0.56 C ATOM 506 CG PRO A2080 -3.803 9.436 -5.979 1.00 0.56 C ATOM 507 CD PRO A2080 -4.493 10.762 -6.048 1.00 0.50 C ATOM 0 HA PRO A2080 -4.746 9.514 -3.134 1.00 0.48 H new ATOM 0 HB2 PRO A2080 -2.160 9.882 -4.682 1.00 0.56 H new ATOM 0 HB3 PRO A2080 -2.983 8.381 -4.306 1.00 0.56 H new ATOM 0 HG2 PRO A2080 -3.075 9.329 -6.783 1.00 0.56 H new ATOM 0 HG3 PRO A2080 -4.515 8.617 -6.082 1.00 0.56 H new ATOM 0 HD2 PRO A2080 -3.839 11.538 -6.445 1.00 0.50 H new ATOM 0 HD3 PRO A2080 -5.372 10.727 -6.691 1.00 0.50 H new ATOM 515 N GLU A2081 -2.894 12.161 -3.078 1.00 0.93 N ATOM 516 CA GLU A2081 -2.146 13.042 -2.189 1.00 1.22 C ATOM 517 C GLU A2081 -3.002 13.459 -1.002 1.00 1.21 C ATOM 518 O GLU A2081 -2.491 13.839 0.050 1.00 1.32 O ATOM 519 CB GLU A2081 -1.695 14.289 -2.943 1.00 1.52 C ATOM 520 CG GLU A2081 -1.103 13.987 -4.297 1.00 2.12 C ATOM 521 CD GLU A2081 -0.425 15.188 -4.919 1.00 2.46 C ATOM 522 OE1 GLU A2081 -0.999 15.777 -5.858 1.00 2.53 O ATOM 523 OE2 GLU A2081 0.679 15.554 -4.470 1.00 2.96 O ATOM 0 H GLU A2081 -3.072 12.551 -4.004 1.00 0.93 H new ATOM 0 HA GLU A2081 -1.274 12.497 -1.827 1.00 1.22 H new ATOM 0 HB2 GLU A2081 -2.547 14.957 -3.068 1.00 1.52 H new ATOM 0 HB3 GLU A2081 -0.957 14.821 -2.342 1.00 1.52 H new ATOM 0 HG2 GLU A2081 -0.380 13.177 -4.200 1.00 2.12 H new ATOM 0 HG3 GLU A2081 -1.891 13.634 -4.963 1.00 2.12 H new ATOM 530 N SER A2082 -4.311 13.368 -1.182 1.00 1.13 N ATOM 531 CA SER A2082 -5.256 13.830 -0.187 1.00 1.23 C ATOM 532 C SER A2082 -5.809 12.660 0.635 1.00 0.99 C ATOM 533 O SER A2082 -6.726 12.835 1.436 1.00 1.06 O ATOM 534 CB SER A2082 -6.383 14.599 -0.888 1.00 1.44 C ATOM 535 OG SER A2082 -7.372 15.049 0.027 1.00 1.70 O ATOM 0 H SER A2082 -4.742 12.974 -2.018 1.00 1.13 H new ATOM 0 HA SER A2082 -4.748 14.496 0.510 1.00 1.23 H new ATOM 0 HB2 SER A2082 -5.963 15.454 -1.417 1.00 1.44 H new ATOM 0 HB3 SER A2082 -6.848 13.958 -1.637 1.00 1.44 H new ATOM 0 HG SER A2082 -7.382 14.463 0.812 1.00 1.70 H new ATOM 541 N ILE A2083 -5.261 11.465 0.429 1.00 0.76 N ATOM 542 CA ILE A2083 -5.659 10.305 1.211 1.00 0.55 C ATOM 543 C ILE A2083 -4.898 10.274 2.530 1.00 0.43 C ATOM 544 O ILE A2083 -3.683 10.069 2.555 1.00 0.46 O ATOM 545 CB ILE A2083 -5.430 8.996 0.429 1.00 0.45 C ATOM 546 CG1 ILE A2083 -6.285 9.019 -0.841 1.00 0.58 C ATOM 547 CG2 ILE A2083 -5.755 7.780 1.292 1.00 0.42 C ATOM 548 CD1 ILE A2083 -6.399 7.692 -1.546 1.00 0.47 C ATOM 0 H ILE A2083 -4.543 11.278 -0.271 1.00 0.76 H new ATOM 0 HA ILE A2083 -6.726 10.388 1.418 1.00 0.55 H new ATOM 0 HB ILE A2083 -4.379 8.919 0.151 1.00 0.45 H new ATOM 0 HG12 ILE A2083 -7.286 9.365 -0.583 1.00 0.58 H new ATOM 0 HG13 ILE A2083 -5.864 9.748 -1.533 1.00 0.58 H new ATOM 0 HG21 ILE A2083 -5.585 6.870 0.717 1.00 0.42 H new ATOM 0 HG22 ILE A2083 -5.114 7.777 2.173 1.00 0.42 H new ATOM 0 HG23 ILE A2083 -6.799 7.823 1.603 1.00 0.42 H new ATOM 0 HD11 ILE A2083 -7.022 7.804 -2.433 1.00 0.47 H new ATOM 0 HD12 ILE A2083 -5.407 7.350 -1.840 1.00 0.47 H new ATOM 0 HD13 ILE A2083 -6.851 6.961 -0.875 1.00 0.47 H new ATOM 560 N SER A2084 -5.618 10.501 3.616 1.00 0.38 N ATOM 561 CA SER A2084 -5.013 10.591 4.932 1.00 0.32 C ATOM 562 C SER A2084 -4.602 9.212 5.454 1.00 0.29 C ATOM 563 O SER A2084 -5.404 8.280 5.499 1.00 0.31 O ATOM 564 CB SER A2084 -5.986 11.255 5.900 1.00 0.36 C ATOM 565 OG SER A2084 -6.403 12.522 5.413 1.00 0.42 O ATOM 0 H SER A2084 -6.630 10.627 3.610 1.00 0.38 H new ATOM 0 HA SER A2084 -4.110 11.196 4.853 1.00 0.32 H new ATOM 0 HB2 SER A2084 -6.855 10.613 6.045 1.00 0.36 H new ATOM 0 HB3 SER A2084 -5.511 11.374 6.874 1.00 0.36 H new ATOM 0 HG SER A2084 -7.028 12.928 6.050 1.00 0.42 H new ATOM 571 N PRO A2085 -3.325 9.086 5.850 1.00 0.29 N ATOM 572 CA PRO A2085 -2.740 7.833 6.350 1.00 0.28 C ATOM 573 C PRO A2085 -3.432 7.288 7.584 1.00 0.28 C ATOM 574 O PRO A2085 -3.584 6.077 7.737 1.00 0.33 O ATOM 575 CB PRO A2085 -1.307 8.222 6.707 1.00 0.32 C ATOM 576 CG PRO A2085 -1.316 9.706 6.814 1.00 0.36 C ATOM 577 CD PRO A2085 -2.332 10.169 5.825 1.00 0.36 C ATOM 0 HA PRO A2085 -2.829 7.044 5.603 1.00 0.28 H new ATOM 0 HB2 PRO A2085 -0.997 7.762 7.645 1.00 0.32 H new ATOM 0 HB3 PRO A2085 -0.607 7.887 5.942 1.00 0.32 H new ATOM 0 HG2 PRO A2085 -1.576 10.025 7.823 1.00 0.36 H new ATOM 0 HG3 PRO A2085 -0.333 10.122 6.591 1.00 0.36 H new ATOM 0 HD2 PRO A2085 -2.769 11.126 6.111 1.00 0.36 H new ATOM 0 HD3 PRO A2085 -1.901 10.300 4.833 1.00 0.36 H new ATOM 585 N ALA A2086 -3.816 8.188 8.468 1.00 0.30 N ATOM 586 CA ALA A2086 -4.466 7.813 9.721 1.00 0.36 C ATOM 587 C ALA A2086 -5.896 7.319 9.503 1.00 0.30 C ATOM 588 O ALA A2086 -6.549 6.868 10.446 1.00 0.28 O ATOM 589 CB ALA A2086 -4.457 8.981 10.694 1.00 0.47 C ATOM 0 H ALA A2086 -3.690 9.193 8.345 1.00 0.30 H new ATOM 0 HA ALA A2086 -3.896 6.987 10.145 1.00 0.36 H new ATOM 0 HB1 ALA A2086 -4.945 8.685 11.623 1.00 0.47 H new ATOM 0 HB2 ALA A2086 -3.428 9.273 10.902 1.00 0.47 H new ATOM 0 HB3 ALA A2086 -4.992 9.824 10.256 1.00 0.47 H new ATOM 595 N THR A2087 -6.387 7.405 8.274 1.00 0.32 N ATOM 596 CA THR A2087 -7.732 6.948 7.969 1.00 0.28 C ATOM 597 C THR A2087 -7.726 5.482 7.555 1.00 0.24 C ATOM 598 O THR A2087 -6.738 4.972 7.033 1.00 0.28 O ATOM 599 CB THR A2087 -8.364 7.775 6.837 1.00 0.32 C ATOM 600 OG1 THR A2087 -8.052 9.164 7.009 1.00 0.39 O ATOM 601 CG2 THR A2087 -9.875 7.601 6.808 1.00 0.34 C ATOM 0 H THR A2087 -5.876 7.785 7.477 1.00 0.32 H new ATOM 0 HA THR A2087 -8.322 7.073 8.877 1.00 0.28 H new ATOM 0 HB THR A2087 -7.953 7.418 5.893 1.00 0.32 H new ATOM 0 HG1 THR A2087 -8.628 9.703 6.428 1.00 0.39 H new ATOM 0 HG21 THR A2087 -10.294 8.197 5.998 1.00 0.34 H new ATOM 0 HG22 THR A2087 -10.117 6.550 6.648 1.00 0.34 H new ATOM 0 HG23 THR A2087 -10.297 7.931 7.757 1.00 0.34 H new ATOM 609 N ALA A2088 -8.842 4.824 7.786 1.00 0.23 N ATOM 610 CA ALA A2088 -8.999 3.417 7.461 1.00 0.25 C ATOM 611 C ALA A2088 -9.583 3.266 6.070 1.00 0.22 C ATOM 612 O ALA A2088 -10.445 4.048 5.670 1.00 0.25 O ATOM 613 CB ALA A2088 -9.914 2.755 8.473 1.00 0.32 C ATOM 0 H ALA A2088 -9.669 5.248 8.205 1.00 0.23 H new ATOM 0 HA ALA A2088 -8.021 2.937 7.490 1.00 0.25 H new ATOM 0 HB1 ALA A2088 -10.028 1.700 8.225 1.00 0.32 H new ATOM 0 HB2 ALA A2088 -9.482 2.848 9.470 1.00 0.32 H new ATOM 0 HB3 ALA A2088 -10.890 3.240 8.453 1.00 0.32 H new ATOM 619 N PHE A2089 -9.120 2.249 5.340 1.00 0.21 N ATOM 620 CA PHE A2089 -9.637 1.958 4.001 1.00 0.20 C ATOM 621 C PHE A2089 -11.147 1.797 4.026 1.00 0.24 C ATOM 622 O PHE A2089 -11.827 2.077 3.040 1.00 0.26 O ATOM 623 CB PHE A2089 -8.976 0.708 3.423 1.00 0.21 C ATOM 624 CG PHE A2089 -7.580 0.957 2.954 1.00 0.21 C ATOM 625 CD1 PHE A2089 -7.319 1.972 2.049 1.00 0.40 C ATOM 626 CD2 PHE A2089 -6.533 0.192 3.426 1.00 0.44 C ATOM 627 CE1 PHE A2089 -6.030 2.220 1.627 1.00 0.43 C ATOM 628 CE2 PHE A2089 -5.245 0.430 3.002 1.00 0.48 C ATOM 629 CZ PHE A2089 -4.993 1.446 2.104 1.00 0.34 C ATOM 0 H PHE A2089 -8.387 1.613 5.654 1.00 0.21 H new ATOM 0 HA PHE A2089 -9.394 2.803 3.357 1.00 0.20 H new ATOM 0 HB2 PHE A2089 -8.966 -0.076 4.181 1.00 0.21 H new ATOM 0 HB3 PHE A2089 -9.574 0.338 2.590 1.00 0.21 H new ATOM 0 HD1 PHE A2089 -8.132 2.574 1.671 1.00 0.40 H new ATOM 0 HD2 PHE A2089 -6.726 -0.600 4.134 1.00 0.44 H new ATOM 0 HE1 PHE A2089 -5.833 3.017 0.926 1.00 0.43 H new ATOM 0 HE2 PHE A2089 -4.433 -0.178 3.372 1.00 0.48 H new ATOM 0 HZ PHE A2089 -3.982 1.636 1.774 1.00 0.34 H new ATOM 639 N LYS A2090 -11.646 1.335 5.161 1.00 0.30 N ATOM 640 CA LYS A2090 -13.062 1.335 5.467 1.00 0.40 C ATOM 641 C LYS A2090 -13.700 2.650 5.048 1.00 0.37 C ATOM 642 O LYS A2090 -14.561 2.703 4.167 1.00 0.47 O ATOM 643 CB LYS A2090 -13.219 1.200 6.959 1.00 0.55 C ATOM 644 CG LYS A2090 -14.544 0.622 7.355 1.00 1.19 C ATOM 645 CD LYS A2090 -14.677 0.646 8.845 1.00 1.79 C ATOM 646 CE LYS A2090 -15.088 2.018 9.353 1.00 2.14 C ATOM 647 NZ LYS A2090 -15.287 2.025 10.825 1.00 2.91 N ATOM 0 H LYS A2090 -11.068 0.944 5.905 1.00 0.30 H new ATOM 0 HA LYS A2090 -13.542 0.514 4.934 1.00 0.40 H new ATOM 0 HB2 LYS A2090 -12.421 0.567 7.348 1.00 0.55 H new ATOM 0 HB3 LYS A2090 -13.103 2.180 7.422 1.00 0.55 H new ATOM 0 HG2 LYS A2090 -15.352 1.193 6.898 1.00 1.19 H new ATOM 0 HG3 LYS A2090 -14.630 -0.401 6.989 1.00 1.19 H new ATOM 0 HD2 LYS A2090 -15.416 -0.093 9.156 1.00 1.79 H new ATOM 0 HD3 LYS A2090 -13.729 0.359 9.299 1.00 1.79 H new ATOM 0 HE2 LYS A2090 -14.324 2.748 9.086 1.00 2.14 H new ATOM 0 HE3 LYS A2090 -16.010 2.327 8.860 1.00 2.14 H new ATOM 0 HZ1 LYS A2090 -15.567 2.978 11.133 1.00 2.91 H new ATOM 0 HZ2 LYS A2090 -16.034 1.347 11.078 1.00 2.91 H new ATOM 0 HZ3 LYS A2090 -14.400 1.755 11.296 1.00 2.91 H new ATOM 661 N ASP A2091 -13.237 3.704 5.702 1.00 0.33 N ATOM 662 CA ASP A2091 -13.725 5.056 5.478 1.00 0.35 C ATOM 663 C ASP A2091 -13.495 5.520 4.038 1.00 0.33 C ATOM 664 O ASP A2091 -14.341 6.208 3.465 1.00 0.39 O ATOM 665 CB ASP A2091 -13.034 6.013 6.448 1.00 0.38 C ATOM 666 CG ASP A2091 -13.665 7.390 6.454 1.00 1.03 C ATOM 667 OD1 ASP A2091 -13.198 8.263 5.695 1.00 1.88 O ATOM 668 OD2 ASP A2091 -14.631 7.610 7.210 1.00 1.04 O ATOM 0 H ASP A2091 -12.505 3.644 6.410 1.00 0.33 H new ATOM 0 HA ASP A2091 -14.801 5.056 5.652 1.00 0.35 H new ATOM 0 HB2 ASP A2091 -13.072 5.595 7.454 1.00 0.38 H new ATOM 0 HB3 ASP A2091 -11.981 6.101 6.179 1.00 0.38 H new ATOM 673 N LEU A2092 -12.359 5.144 3.447 1.00 0.30 N ATOM 674 CA LEU A2092 -12.040 5.568 2.085 1.00 0.32 C ATOM 675 C LEU A2092 -12.986 4.936 1.060 1.00 0.30 C ATOM 676 O LEU A2092 -13.135 5.453 -0.050 1.00 0.36 O ATOM 677 CB LEU A2092 -10.588 5.232 1.714 1.00 0.34 C ATOM 678 CG LEU A2092 -9.496 6.162 2.277 1.00 0.35 C ATOM 679 CD1 LEU A2092 -9.995 7.591 2.421 1.00 0.73 C ATOM 680 CD2 LEU A2092 -8.958 5.647 3.599 1.00 0.61 C ATOM 0 H LEU A2092 -11.652 4.553 3.885 1.00 0.30 H new ATOM 0 HA LEU A2092 -12.168 6.650 2.060 1.00 0.32 H new ATOM 0 HB2 LEU A2092 -10.377 4.217 2.051 1.00 0.34 H new ATOM 0 HB3 LEU A2092 -10.506 5.231 0.627 1.00 0.34 H new ATOM 0 HG LEU A2092 -8.678 6.166 1.557 1.00 0.35 H new ATOM 0 HD11 LEU A2092 -9.197 8.217 2.821 1.00 0.73 H new ATOM 0 HD12 LEU A2092 -10.299 7.970 1.445 1.00 0.73 H new ATOM 0 HD13 LEU A2092 -10.847 7.612 3.100 1.00 0.73 H new ATOM 0 HD21 LEU A2092 -8.190 6.326 3.968 1.00 0.61 H new ATOM 0 HD22 LEU A2092 -9.770 5.588 4.324 1.00 0.61 H new ATOM 0 HD23 LEU A2092 -8.528 4.656 3.455 1.00 0.61 H new ATOM 692 N GLY A2093 -13.620 3.824 1.427 1.00 0.26 N ATOM 693 CA GLY A2093 -14.613 3.219 0.552 1.00 0.26 C ATOM 694 C GLY A2093 -14.243 1.812 0.130 1.00 0.22 C ATOM 695 O GLY A2093 -14.868 1.237 -0.760 1.00 0.27 O ATOM 0 H GLY A2093 -13.466 3.334 2.308 1.00 0.26 H new ATOM 0 HA2 GLY A2093 -15.576 3.199 1.062 1.00 0.26 H new ATOM 0 HA3 GLY A2093 -14.735 3.840 -0.336 1.00 0.26 H new ATOM 699 N ILE A2094 -13.225 1.265 0.766 1.00 0.22 N ATOM 700 CA ILE A2094 -12.725 -0.057 0.434 1.00 0.19 C ATOM 701 C ILE A2094 -13.615 -1.157 1.007 1.00 0.18 C ATOM 702 O ILE A2094 -13.993 -1.120 2.179 1.00 0.22 O ATOM 703 CB ILE A2094 -11.288 -0.226 0.969 1.00 0.19 C ATOM 704 CG1 ILE A2094 -10.333 0.706 0.227 1.00 0.24 C ATOM 705 CG2 ILE A2094 -10.813 -1.671 0.861 1.00 0.21 C ATOM 706 CD1 ILE A2094 -10.253 0.435 -1.254 1.00 0.28 C ATOM 0 H ILE A2094 -12.722 1.723 1.526 1.00 0.22 H new ATOM 0 HA ILE A2094 -12.730 -0.149 -0.652 1.00 0.19 H new ATOM 0 HB ILE A2094 -11.294 0.040 2.026 1.00 0.19 H new ATOM 0 HG12 ILE A2094 -10.651 1.737 0.382 1.00 0.24 H new ATOM 0 HG13 ILE A2094 -9.337 0.611 0.659 1.00 0.24 H new ATOM 0 HG21 ILE A2094 -9.797 -1.750 1.248 1.00 0.21 H new ATOM 0 HG22 ILE A2094 -11.473 -2.315 1.442 1.00 0.21 H new ATOM 0 HG23 ILE A2094 -10.829 -1.982 -0.184 1.00 0.21 H new ATOM 0 HD11 ILE A2094 -9.556 1.135 -1.715 1.00 0.28 H new ATOM 0 HD12 ILE A2094 -9.905 -0.585 -1.419 1.00 0.28 H new ATOM 0 HD13 ILE A2094 -11.240 0.559 -1.700 1.00 0.28 H new ATOM 718 N ASP A2095 -13.961 -2.120 0.164 1.00 0.19 N ATOM 719 CA ASP A2095 -14.671 -3.310 0.611 1.00 0.26 C ATOM 720 C ASP A2095 -13.717 -4.489 0.597 1.00 0.21 C ATOM 721 O ASP A2095 -12.506 -4.304 0.547 1.00 0.23 O ATOM 722 CB ASP A2095 -15.873 -3.630 -0.278 1.00 0.40 C ATOM 723 CG ASP A2095 -16.969 -2.587 -0.219 1.00 0.77 C ATOM 724 OD1 ASP A2095 -17.694 -2.530 0.797 1.00 0.94 O ATOM 725 OD2 ASP A2095 -17.107 -1.807 -1.181 1.00 1.07 O ATOM 0 H ASP A2095 -13.761 -2.100 -0.836 1.00 0.19 H new ATOM 0 HA ASP A2095 -15.042 -3.120 1.618 1.00 0.26 H new ATOM 0 HB2 ASP A2095 -15.534 -3.730 -1.309 1.00 0.40 H new ATOM 0 HB3 ASP A2095 -16.285 -4.595 0.017 1.00 0.40 H new ATOM 730 N SER A2096 -14.246 -5.697 0.616 1.00 0.30 N ATOM 731 CA SER A2096 -13.386 -6.868 0.628 1.00 0.35 C ATOM 732 C SER A2096 -12.825 -7.158 -0.756 1.00 0.30 C ATOM 733 O SER A2096 -11.683 -7.594 -0.899 1.00 0.38 O ATOM 734 CB SER A2096 -14.157 -8.074 1.156 1.00 0.51 C ATOM 735 OG SER A2096 -15.475 -7.638 1.531 1.00 0.85 O ATOM 0 H SER A2096 -15.247 -5.894 0.623 1.00 0.30 H new ATOM 0 HA SER A2096 -12.544 -6.665 1.289 1.00 0.35 H new ATOM 0 HB2 SER A2096 -14.217 -8.850 0.393 1.00 0.51 H new ATOM 0 HB3 SER A2096 -13.642 -8.508 2.013 1.00 0.51 H new ATOM 0 HG SER A2096 -15.987 -8.401 1.872 1.00 0.85 H new ATOM 740 N LEU A2097 -13.621 -6.879 -1.772 1.00 0.29 N ATOM 741 CA LEU A2097 -13.230 -7.154 -3.144 1.00 0.35 C ATOM 742 C LEU A2097 -12.183 -6.157 -3.609 1.00 0.26 C ATOM 743 O LEU A2097 -11.190 -6.522 -4.226 1.00 0.35 O ATOM 744 CB LEU A2097 -14.438 -7.108 -4.082 1.00 0.50 C ATOM 745 CG LEU A2097 -15.770 -6.770 -3.425 1.00 1.06 C ATOM 746 CD1 LEU A2097 -15.910 -5.269 -3.241 1.00 1.39 C ATOM 747 CD2 LEU A2097 -16.923 -7.313 -4.246 1.00 1.65 C ATOM 0 H LEU A2097 -14.546 -6.460 -1.673 1.00 0.29 H new ATOM 0 HA LEU A2097 -12.807 -8.158 -3.173 1.00 0.35 H new ATOM 0 HB2 LEU A2097 -14.241 -6.373 -4.862 1.00 0.50 H new ATOM 0 HB3 LEU A2097 -14.531 -8.077 -4.573 1.00 0.50 H new ATOM 0 HG LEU A2097 -15.795 -7.241 -2.442 1.00 1.06 H new ATOM 0 HD11 LEU A2097 -16.868 -5.048 -2.770 1.00 1.39 H new ATOM 0 HD12 LEU A2097 -15.102 -4.903 -2.608 1.00 1.39 H new ATOM 0 HD13 LEU A2097 -15.861 -4.777 -4.213 1.00 1.39 H new ATOM 0 HD21 LEU A2097 -17.866 -7.061 -3.760 1.00 1.65 H new ATOM 0 HD22 LEU A2097 -16.899 -6.872 -5.243 1.00 1.65 H new ATOM 0 HD23 LEU A2097 -16.834 -8.396 -4.326 1.00 1.65 H new ATOM 759 N THR A2098 -12.401 -4.894 -3.297 1.00 0.19 N ATOM 760 CA THR A2098 -11.475 -3.851 -3.693 1.00 0.16 C ATOM 761 C THR A2098 -10.244 -3.818 -2.798 1.00 0.15 C ATOM 762 O THR A2098 -9.226 -3.222 -3.149 1.00 0.19 O ATOM 763 CB THR A2098 -12.169 -2.490 -3.712 1.00 0.21 C ATOM 764 OG1 THR A2098 -13.175 -2.437 -2.689 1.00 0.26 O ATOM 765 CG2 THR A2098 -12.789 -2.257 -5.077 1.00 0.27 C ATOM 0 H THR A2098 -13.211 -4.566 -2.771 1.00 0.19 H new ATOM 0 HA THR A2098 -11.137 -4.081 -4.703 1.00 0.16 H new ATOM 0 HB THR A2098 -11.436 -1.707 -3.517 1.00 0.21 H new ATOM 0 HG1 THR A2098 -13.614 -1.561 -2.707 1.00 0.26 H new ATOM 0 HG21 THR A2098 -13.284 -1.286 -5.091 1.00 0.27 H new ATOM 0 HG22 THR A2098 -12.010 -2.278 -5.839 1.00 0.27 H new ATOM 0 HG23 THR A2098 -13.519 -3.040 -5.283 1.00 0.27 H new ATOM 773 N ALA A2099 -10.342 -4.470 -1.648 1.00 0.15 N ATOM 774 CA ALA A2099 -9.198 -4.642 -0.770 1.00 0.19 C ATOM 775 C ALA A2099 -8.076 -5.375 -1.496 1.00 0.22 C ATOM 776 O ALA A2099 -6.926 -4.937 -1.494 1.00 0.29 O ATOM 777 CB ALA A2099 -9.604 -5.406 0.482 1.00 0.21 C ATOM 0 H ALA A2099 -11.205 -4.889 -1.302 1.00 0.15 H new ATOM 0 HA ALA A2099 -8.835 -3.657 -0.476 1.00 0.19 H new ATOM 0 HB1 ALA A2099 -8.737 -5.528 1.131 1.00 0.21 H new ATOM 0 HB2 ALA A2099 -10.379 -4.851 1.012 1.00 0.21 H new ATOM 0 HB3 ALA A2099 -9.988 -6.387 0.201 1.00 0.21 H new ATOM 783 N LEU A2100 -8.420 -6.479 -2.146 1.00 0.22 N ATOM 784 CA LEU A2100 -7.421 -7.278 -2.833 1.00 0.27 C ATOM 785 C LEU A2100 -6.912 -6.550 -4.070 1.00 0.26 C ATOM 786 O LEU A2100 -5.731 -6.622 -4.389 1.00 0.29 O ATOM 787 CB LEU A2100 -7.967 -8.678 -3.174 1.00 0.31 C ATOM 788 CG LEU A2100 -9.297 -8.731 -3.935 1.00 0.33 C ATOM 789 CD1 LEU A2100 -9.082 -8.644 -5.440 1.00 0.36 C ATOM 790 CD2 LEU A2100 -10.061 -9.996 -3.579 1.00 0.40 C ATOM 0 H LEU A2100 -9.373 -6.837 -2.210 1.00 0.22 H new ATOM 0 HA LEU A2100 -6.574 -7.421 -2.162 1.00 0.27 H new ATOM 0 HB2 LEU A2100 -7.216 -9.202 -3.765 1.00 0.31 H new ATOM 0 HB3 LEU A2100 -8.085 -9.233 -2.244 1.00 0.31 H new ATOM 0 HG LEU A2100 -9.888 -7.866 -3.634 1.00 0.33 H new ATOM 0 HD11 LEU A2100 -10.045 -8.685 -5.948 1.00 0.36 H new ATOM 0 HD12 LEU A2100 -8.583 -7.706 -5.683 1.00 0.36 H new ATOM 0 HD13 LEU A2100 -8.463 -9.479 -5.768 1.00 0.36 H new ATOM 0 HD21 LEU A2100 -11.003 -10.019 -4.127 1.00 0.40 H new ATOM 0 HD22 LEU A2100 -9.465 -10.868 -3.846 1.00 0.40 H new ATOM 0 HD23 LEU A2100 -10.264 -10.009 -2.508 1.00 0.40 H new ATOM 802 N GLU A2101 -7.803 -5.827 -4.743 1.00 0.24 N ATOM 803 CA GLU A2101 -7.437 -5.033 -5.908 1.00 0.26 C ATOM 804 C GLU A2101 -6.431 -3.945 -5.546 1.00 0.24 C ATOM 805 O GLU A2101 -5.511 -3.652 -6.315 1.00 0.27 O ATOM 806 CB GLU A2101 -8.698 -4.423 -6.503 1.00 0.29 C ATOM 807 CG GLU A2101 -9.722 -5.466 -6.901 1.00 0.35 C ATOM 808 CD GLU A2101 -9.320 -6.247 -8.140 1.00 0.50 C ATOM 809 OE1 GLU A2101 -10.207 -6.609 -8.944 1.00 0.72 O ATOM 810 OE2 GLU A2101 -8.112 -6.501 -8.321 1.00 0.56 O ATOM 0 H GLU A2101 -8.792 -5.776 -4.497 1.00 0.24 H new ATOM 0 HA GLU A2101 -6.959 -5.680 -6.643 1.00 0.26 H new ATOM 0 HB2 GLU A2101 -9.143 -3.741 -5.779 1.00 0.29 H new ATOM 0 HB3 GLU A2101 -8.432 -3.830 -7.378 1.00 0.29 H new ATOM 0 HG2 GLU A2101 -9.868 -6.159 -6.072 1.00 0.35 H new ATOM 0 HG3 GLU A2101 -10.680 -4.977 -7.081 1.00 0.35 H new ATOM 817 N LEU A2102 -6.613 -3.338 -4.381 1.00 0.21 N ATOM 818 CA LEU A2102 -5.653 -2.384 -3.861 1.00 0.22 C ATOM 819 C LEU A2102 -4.291 -3.044 -3.728 1.00 0.24 C ATOM 820 O LEU A2102 -3.291 -2.545 -4.252 1.00 0.27 O ATOM 821 CB LEU A2102 -6.115 -1.894 -2.501 1.00 0.24 C ATOM 822 CG LEU A2102 -5.695 -0.480 -2.119 1.00 0.28 C ATOM 823 CD1 LEU A2102 -6.213 -0.186 -0.746 1.00 0.65 C ATOM 824 CD2 LEU A2102 -4.188 -0.282 -2.170 1.00 0.57 C ATOM 0 H LEU A2102 -7.421 -3.493 -3.779 1.00 0.21 H new ATOM 0 HA LEU A2102 -5.576 -1.540 -4.546 1.00 0.22 H new ATOM 0 HB2 LEU A2102 -7.203 -1.949 -2.468 1.00 0.24 H new ATOM 0 HB3 LEU A2102 -5.738 -2.580 -1.743 1.00 0.24 H new ATOM 0 HG LEU A2102 -6.119 0.211 -2.847 1.00 0.28 H new ATOM 0 HD11 LEU A2102 -5.921 0.823 -0.456 1.00 0.65 H new ATOM 0 HD12 LEU A2102 -7.300 -0.265 -0.743 1.00 0.65 H new ATOM 0 HD13 LEU A2102 -5.795 -0.902 -0.038 1.00 0.65 H new ATOM 0 HD21 LEU A2102 -3.946 0.743 -1.889 1.00 0.57 H new ATOM 0 HD22 LEU A2102 -3.707 -0.972 -1.477 1.00 0.57 H new ATOM 0 HD23 LEU A2102 -3.830 -0.475 -3.181 1.00 0.57 H new ATOM 836 N ARG A2103 -4.270 -4.170 -3.022 1.00 0.26 N ATOM 837 CA ARG A2103 -3.055 -4.938 -2.839 1.00 0.34 C ATOM 838 C ARG A2103 -2.433 -5.249 -4.193 1.00 0.35 C ATOM 839 O ARG A2103 -1.248 -5.026 -4.403 1.00 0.43 O ATOM 840 CB ARG A2103 -3.354 -6.243 -2.108 1.00 0.48 C ATOM 841 CG ARG A2103 -2.113 -7.077 -1.866 1.00 0.94 C ATOM 842 CD ARG A2103 -2.459 -8.493 -1.440 1.00 0.77 C ATOM 843 NE ARG A2103 -2.889 -9.329 -2.569 1.00 0.94 N ATOM 844 CZ ARG A2103 -2.081 -9.762 -3.548 1.00 1.48 C ATOM 845 NH1 ARG A2103 -0.813 -9.369 -3.613 1.00 2.43 N ATOM 846 NH2 ARG A2103 -2.559 -10.576 -4.480 1.00 1.60 N ATOM 0 H ARG A2103 -5.091 -4.569 -2.566 1.00 0.26 H new ATOM 0 HA ARG A2103 -2.359 -4.349 -2.242 1.00 0.34 H new ATOM 0 HB2 ARG A2103 -3.828 -6.019 -1.152 1.00 0.48 H new ATOM 0 HB3 ARG A2103 -4.069 -6.824 -2.690 1.00 0.48 H new ATOM 0 HG2 ARG A2103 -1.513 -7.107 -2.775 1.00 0.94 H new ATOM 0 HG3 ARG A2103 -1.502 -6.605 -1.096 1.00 0.94 H new ATOM 0 HD2 ARG A2103 -1.591 -8.949 -0.964 1.00 0.77 H new ATOM 0 HD3 ARG A2103 -3.252 -8.461 -0.693 1.00 0.77 H new ATOM 0 HE ARG A2103 -3.872 -9.599 -2.611 1.00 0.94 H new ATOM 0 HH11 ARG A2103 -0.441 -8.729 -2.912 1.00 2.43 H new ATOM 0 HH12 ARG A2103 -0.212 -9.708 -4.364 1.00 2.43 H new ATOM 0 HH21 ARG A2103 -3.536 -10.869 -4.449 1.00 1.60 H new ATOM 0 HH22 ARG A2103 -1.950 -10.909 -5.227 1.00 1.60 H new ATOM 860 N ASN A2104 -3.260 -5.758 -5.101 1.00 0.33 N ATOM 861 CA ASN A2104 -2.843 -6.071 -6.463 1.00 0.38 C ATOM 862 C ASN A2104 -2.093 -4.901 -7.085 1.00 0.39 C ATOM 863 O ASN A2104 -0.996 -5.062 -7.619 1.00 0.48 O ATOM 864 CB ASN A2104 -4.069 -6.413 -7.320 1.00 0.39 C ATOM 865 CG ASN A2104 -4.681 -7.756 -6.971 1.00 0.43 C ATOM 866 OD1 ASN A2104 -3.992 -8.671 -6.525 1.00 0.47 O ATOM 867 ND2 ASN A2104 -5.983 -7.888 -7.183 1.00 0.44 N ATOM 0 H ASN A2104 -4.241 -5.965 -4.912 1.00 0.33 H new ATOM 0 HA ASN A2104 -2.173 -6.930 -6.426 1.00 0.38 H new ATOM 0 HB2 ASN A2104 -4.821 -5.634 -7.195 1.00 0.39 H new ATOM 0 HB3 ASN A2104 -3.782 -6.413 -8.371 1.00 0.39 H new ATOM 0 HD21 ASN A2104 -6.447 -8.772 -6.975 1.00 0.44 H new ATOM 0 HD22 ASN A2104 -6.521 -7.105 -7.554 1.00 0.44 H new ATOM 874 N THR A2105 -2.679 -3.717 -6.982 1.00 0.33 N ATOM 875 CA THR A2105 -2.096 -2.517 -7.555 1.00 0.39 C ATOM 876 C THR A2105 -0.730 -2.200 -6.939 1.00 0.42 C ATOM 877 O THR A2105 0.261 -2.048 -7.655 1.00 0.51 O ATOM 878 CB THR A2105 -3.033 -1.310 -7.371 1.00 0.41 C ATOM 879 OG1 THR A2105 -4.325 -1.605 -7.926 1.00 0.46 O ATOM 880 CG2 THR A2105 -2.461 -0.071 -8.046 1.00 0.51 C ATOM 0 H THR A2105 -3.566 -3.563 -6.502 1.00 0.33 H new ATOM 0 HA THR A2105 -1.958 -2.708 -8.619 1.00 0.39 H new ATOM 0 HB THR A2105 -3.129 -1.112 -6.303 1.00 0.41 H new ATOM 0 HG1 THR A2105 -4.770 -2.283 -7.376 1.00 0.46 H new ATOM 0 HG21 THR A2105 -3.141 0.769 -7.902 1.00 0.51 H new ATOM 0 HG22 THR A2105 -1.492 0.168 -7.607 1.00 0.51 H new ATOM 0 HG23 THR A2105 -2.340 -0.261 -9.112 1.00 0.51 H new ATOM 888 N LEU A2106 -0.666 -2.124 -5.612 1.00 0.42 N ATOM 889 CA LEU A2106 0.578 -1.756 -4.947 1.00 0.55 C ATOM 890 C LEU A2106 1.605 -2.889 -5.010 1.00 0.54 C ATOM 891 O LEU A2106 2.801 -2.654 -4.860 1.00 0.56 O ATOM 892 CB LEU A2106 0.324 -1.284 -3.504 1.00 0.74 C ATOM 893 CG LEU A2106 -0.570 -2.169 -2.631 1.00 0.44 C ATOM 894 CD1 LEU A2106 0.194 -3.375 -2.116 1.00 1.13 C ATOM 895 CD2 LEU A2106 -1.126 -1.359 -1.472 1.00 0.81 C ATOM 0 H LEU A2106 -1.449 -2.309 -4.985 1.00 0.42 H new ATOM 0 HA LEU A2106 1.005 -0.912 -5.488 1.00 0.55 H new ATOM 0 HB2 LEU A2106 1.288 -1.181 -3.006 1.00 0.74 H new ATOM 0 HB3 LEU A2106 -0.121 -0.290 -3.546 1.00 0.74 H new ATOM 0 HG LEU A2106 -1.397 -2.532 -3.241 1.00 0.44 H new ATOM 0 HD11 LEU A2106 -0.464 -3.986 -1.499 1.00 1.13 H new ATOM 0 HD12 LEU A2106 0.553 -3.965 -2.959 1.00 1.13 H new ATOM 0 HD13 LEU A2106 1.043 -3.040 -1.520 1.00 1.13 H new ATOM 0 HD21 LEU A2106 -1.761 -1.995 -0.855 1.00 0.81 H new ATOM 0 HD22 LEU A2106 -0.303 -0.974 -0.869 1.00 0.81 H new ATOM 0 HD23 LEU A2106 -1.713 -0.526 -1.859 1.00 0.81 H new ATOM 907 N THR A2107 1.141 -4.109 -5.253 1.00 0.56 N ATOM 908 CA THR A2107 2.035 -5.238 -5.462 1.00 0.62 C ATOM 909 C THR A2107 2.689 -5.135 -6.841 1.00 0.60 C ATOM 910 O THR A2107 3.884 -5.392 -7.000 1.00 0.64 O ATOM 911 CB THR A2107 1.282 -6.581 -5.333 1.00 0.69 C ATOM 912 OG1 THR A2107 0.707 -6.692 -4.025 1.00 0.73 O ATOM 913 CG2 THR A2107 2.205 -7.759 -5.577 1.00 0.81 C ATOM 0 H THR A2107 0.149 -4.340 -5.310 1.00 0.56 H new ATOM 0 HA THR A2107 2.805 -5.208 -4.691 1.00 0.62 H new ATOM 0 HB THR A2107 0.496 -6.598 -6.088 1.00 0.69 H new ATOM 0 HG1 THR A2107 0.035 -5.989 -3.902 1.00 0.73 H new ATOM 0 HG21 THR A2107 1.643 -8.688 -5.479 1.00 0.81 H new ATOM 0 HG22 THR A2107 2.622 -7.692 -6.582 1.00 0.81 H new ATOM 0 HG23 THR A2107 3.014 -7.745 -4.846 1.00 0.81 H new ATOM 921 N HIS A2108 1.903 -4.719 -7.829 1.00 0.58 N ATOM 922 CA HIS A2108 2.412 -4.521 -9.182 1.00 0.62 C ATOM 923 C HIS A2108 3.383 -3.348 -9.225 1.00 0.60 C ATOM 924 O HIS A2108 4.244 -3.272 -10.098 1.00 0.68 O ATOM 925 CB HIS A2108 1.266 -4.274 -10.169 1.00 0.68 C ATOM 926 CG HIS A2108 0.394 -5.469 -10.402 1.00 1.20 C ATOM 927 ND1 HIS A2108 -0.963 -5.378 -10.626 1.00 1.74 N ATOM 928 CD2 HIS A2108 0.694 -6.787 -10.463 1.00 2.24 C ATOM 929 CE1 HIS A2108 -1.459 -6.585 -10.812 1.00 2.48 C ATOM 930 NE2 HIS A2108 -0.476 -7.459 -10.719 1.00 2.81 N ATOM 0 H HIS A2108 0.910 -4.512 -7.718 1.00 0.58 H new ATOM 0 HA HIS A2108 2.937 -5.431 -9.474 1.00 0.62 H new ATOM 0 HB2 HIS A2108 0.650 -3.455 -9.797 1.00 0.68 H new ATOM 0 HB3 HIS A2108 1.685 -3.951 -11.122 1.00 0.68 H new ATOM 0 HD2 HIS A2108 1.671 -7.228 -10.334 1.00 2.24 H new ATOM 0 HE1 HIS A2108 -2.495 -6.819 -11.007 1.00 2.48 H new ATOM 0 HE2 HIS A2108 -0.569 -8.470 -10.821 1.00 2.81 H new ATOM 939 N ASN A2109 3.239 -2.437 -8.275 1.00 0.57 N ATOM 940 CA ASN A2109 4.092 -1.261 -8.209 1.00 0.64 C ATOM 941 C ASN A2109 5.315 -1.498 -7.333 1.00 0.66 C ATOM 942 O ASN A2109 6.207 -0.652 -7.261 1.00 0.85 O ATOM 943 CB ASN A2109 3.305 -0.067 -7.691 1.00 0.82 C ATOM 944 CG ASN A2109 2.453 0.567 -8.768 1.00 1.61 C ATOM 945 OD1 ASN A2109 2.804 0.553 -9.947 1.00 1.85 O ATOM 946 ND2 ASN A2109 1.331 1.129 -8.370 1.00 2.60 N ATOM 0 H ASN A2109 2.537 -2.490 -7.537 1.00 0.57 H new ATOM 0 HA ASN A2109 4.442 -1.053 -9.220 1.00 0.64 H new ATOM 0 HB2 ASN A2109 2.667 -0.385 -6.866 1.00 0.82 H new ATOM 0 HB3 ASN A2109 3.996 0.676 -7.292 1.00 0.82 H new ATOM 0 HD21 ASN A2109 0.715 1.575 -9.050 1.00 2.60 H new ATOM 0 HD22 ASN A2109 1.078 1.118 -7.382 1.00 2.60 H new ATOM 953 N THR A2110 5.359 -2.638 -6.659 1.00 0.65 N ATOM 954 CA THR A2110 6.500 -2.971 -5.821 1.00 0.78 C ATOM 955 C THR A2110 7.340 -4.093 -6.428 1.00 0.81 C ATOM 956 O THR A2110 8.548 -4.157 -6.210 1.00 1.02 O ATOM 957 CB THR A2110 6.061 -3.353 -4.396 1.00 0.83 C ATOM 958 OG1 THR A2110 4.958 -4.263 -4.450 1.00 0.72 O ATOM 959 CG2 THR A2110 5.668 -2.116 -3.607 1.00 1.03 C ATOM 0 H THR A2110 4.623 -3.344 -6.676 1.00 0.65 H new ATOM 0 HA THR A2110 7.118 -2.075 -5.764 1.00 0.78 H new ATOM 0 HB THR A2110 6.901 -3.834 -3.895 1.00 0.83 H new ATOM 0 HG1 THR A2110 4.153 -3.784 -4.737 1.00 0.72 H new ATOM 0 HG21 THR A2110 5.361 -2.407 -2.603 1.00 1.03 H new ATOM 0 HG22 THR A2110 6.520 -1.439 -3.544 1.00 1.03 H new ATOM 0 HG23 THR A2110 4.841 -1.613 -4.108 1.00 1.03 H new ATOM 967 N GLY A2111 6.697 -4.978 -7.184 1.00 0.72 N ATOM 968 CA GLY A2111 7.424 -6.015 -7.898 1.00 0.86 C ATOM 969 C GLY A2111 7.707 -7.233 -7.043 1.00 0.88 C ATOM 970 O GLY A2111 8.415 -8.148 -7.462 1.00 1.05 O ATOM 0 H GLY A2111 5.686 -4.996 -7.316 1.00 0.72 H new ATOM 0 HA2 GLY A2111 6.849 -6.318 -8.773 1.00 0.86 H new ATOM 0 HA3 GLY A2111 8.367 -5.606 -8.262 1.00 0.86 H new ATOM 974 N LEU A2112 7.164 -7.245 -5.840 1.00 0.84 N ATOM 975 CA LEU A2112 7.326 -8.373 -4.942 1.00 0.92 C ATOM 976 C LEU A2112 6.015 -9.119 -4.784 1.00 0.80 C ATOM 977 O LEU A2112 5.061 -8.869 -5.519 1.00 0.97 O ATOM 978 CB LEU A2112 7.857 -7.895 -3.589 1.00 1.21 C ATOM 979 CG LEU A2112 7.187 -6.645 -3.010 1.00 1.05 C ATOM 980 CD1 LEU A2112 5.796 -6.946 -2.473 1.00 1.45 C ATOM 981 CD2 LEU A2112 8.060 -6.060 -1.926 1.00 1.34 C ATOM 0 H LEU A2112 6.604 -6.482 -5.461 1.00 0.84 H new ATOM 0 HA LEU A2112 8.053 -9.064 -5.369 1.00 0.92 H new ATOM 0 HB2 LEU A2112 7.748 -8.707 -2.870 1.00 1.21 H new ATOM 0 HB3 LEU A2112 8.924 -7.698 -3.689 1.00 1.21 H new ATOM 0 HG LEU A2112 7.070 -5.918 -3.814 1.00 1.05 H new ATOM 0 HD11 LEU A2112 5.356 -6.033 -2.071 1.00 1.45 H new ATOM 0 HD12 LEU A2112 5.169 -7.327 -3.279 1.00 1.45 H new ATOM 0 HD13 LEU A2112 5.865 -7.694 -1.683 1.00 1.45 H new ATOM 0 HD21 LEU A2112 7.583 -5.171 -1.515 1.00 1.34 H new ATOM 0 HD22 LEU A2112 8.199 -6.796 -1.134 1.00 1.34 H new ATOM 0 HD23 LEU A2112 9.029 -5.790 -2.345 1.00 1.34 H new ATOM 993 N ASP A2113 5.974 -10.036 -3.837 1.00 0.77 N ATOM 994 CA ASP A2113 4.787 -10.838 -3.616 1.00 0.77 C ATOM 995 C ASP A2113 4.179 -10.513 -2.260 1.00 0.92 C ATOM 996 O ASP A2113 4.897 -10.364 -1.267 1.00 1.14 O ATOM 997 CB ASP A2113 5.128 -12.320 -3.712 1.00 0.83 C ATOM 998 CG ASP A2113 3.902 -13.196 -3.591 1.00 0.91 C ATOM 999 OD1 ASP A2113 3.693 -13.791 -2.512 1.00 0.90 O ATOM 1000 OD2 ASP A2113 3.132 -13.284 -4.569 1.00 1.18 O ATOM 0 H ASP A2113 6.750 -10.244 -3.208 1.00 0.77 H new ATOM 0 HA ASP A2113 4.053 -10.603 -4.387 1.00 0.77 H new ATOM 0 HB2 ASP A2113 5.621 -12.517 -4.664 1.00 0.83 H new ATOM 0 HB3 ASP A2113 5.837 -12.580 -2.926 1.00 0.83 H new ATOM 1005 N LEU A2114 2.862 -10.410 -2.220 1.00 1.05 N ATOM 1006 CA LEU A2114 2.171 -9.953 -1.027 1.00 1.34 C ATOM 1007 C LEU A2114 0.979 -10.862 -0.712 1.00 1.00 C ATOM 1008 O LEU A2114 0.280 -11.314 -1.618 1.00 1.04 O ATOM 1009 CB LEU A2114 1.712 -8.509 -1.254 1.00 1.98 C ATOM 1010 CG LEU A2114 1.977 -7.530 -0.107 1.00 2.33 C ATOM 1011 CD1 LEU A2114 3.435 -7.572 0.325 1.00 2.71 C ATOM 1012 CD2 LEU A2114 1.606 -6.122 -0.535 1.00 2.95 C ATOM 0 H LEU A2114 2.248 -10.637 -3.002 1.00 1.05 H new ATOM 0 HA LEU A2114 2.845 -9.992 -0.171 1.00 1.34 H new ATOM 0 HB2 LEU A2114 2.204 -8.129 -2.150 1.00 1.98 H new ATOM 0 HB3 LEU A2114 0.641 -8.517 -1.458 1.00 1.98 H new ATOM 0 HG LEU A2114 1.362 -7.826 0.743 1.00 2.33 H new ATOM 0 HD11 LEU A2114 3.593 -6.867 1.141 1.00 2.71 H new ATOM 0 HD12 LEU A2114 3.686 -8.578 0.661 1.00 2.71 H new ATOM 0 HD13 LEU A2114 4.072 -7.302 -0.517 1.00 2.71 H new ATOM 0 HD21 LEU A2114 1.797 -5.430 0.285 1.00 2.95 H new ATOM 0 HD22 LEU A2114 2.205 -5.835 -1.399 1.00 2.95 H new ATOM 0 HD23 LEU A2114 0.549 -6.089 -0.799 1.00 2.95 H new ATOM 1024 N PRO A2115 0.742 -11.143 0.580 1.00 0.85 N ATOM 1025 CA PRO A2115 -0.340 -12.036 1.025 1.00 0.64 C ATOM 1026 C PRO A2115 -1.722 -11.459 0.749 1.00 0.57 C ATOM 1027 O PRO A2115 -1.932 -10.257 0.872 1.00 0.58 O ATOM 1028 CB PRO A2115 -0.124 -12.136 2.536 1.00 0.76 C ATOM 1029 CG PRO A2115 0.628 -10.905 2.896 1.00 0.98 C ATOM 1030 CD PRO A2115 1.511 -10.614 1.719 1.00 1.10 C ATOM 0 HA PRO A2115 -0.308 -12.991 0.501 1.00 0.64 H new ATOM 0 HB2 PRO A2115 -1.074 -12.189 3.068 1.00 0.76 H new ATOM 0 HB3 PRO A2115 0.438 -13.033 2.796 1.00 0.76 H new ATOM 0 HG2 PRO A2115 -0.050 -10.075 3.092 1.00 0.98 H new ATOM 0 HG3 PRO A2115 1.217 -11.056 3.800 1.00 0.98 H new ATOM 0 HD2 PRO A2115 1.702 -9.546 1.614 1.00 1.10 H new ATOM 0 HD3 PRO A2115 2.480 -11.104 1.812 1.00 1.10 H new ATOM 1038 N PRO A2116 -2.695 -12.319 0.397 1.00 0.57 N ATOM 1039 CA PRO A2116 -4.081 -11.898 0.141 1.00 0.62 C ATOM 1040 C PRO A2116 -4.765 -11.354 1.396 1.00 0.58 C ATOM 1041 O PRO A2116 -5.879 -10.840 1.335 1.00 0.68 O ATOM 1042 CB PRO A2116 -4.769 -13.185 -0.329 1.00 0.73 C ATOM 1043 CG PRO A2116 -3.929 -14.288 0.214 1.00 0.75 C ATOM 1044 CD PRO A2116 -2.520 -13.771 0.209 1.00 0.63 C ATOM 0 HA PRO A2116 -4.130 -11.086 -0.585 1.00 0.62 H new ATOM 0 HB2 PRO A2116 -5.791 -13.246 0.045 1.00 0.73 H new ATOM 0 HB3 PRO A2116 -4.824 -13.229 -1.417 1.00 0.73 H new ATOM 0 HG2 PRO A2116 -4.243 -14.558 1.222 1.00 0.75 H new ATOM 0 HG3 PRO A2116 -4.018 -15.185 -0.399 1.00 0.75 H new ATOM 0 HD2 PRO A2116 -1.926 -14.212 1.009 1.00 0.63 H new ATOM 0 HD3 PRO A2116 -2.011 -13.998 -0.728 1.00 0.63 H new ATOM 1052 N THR A2117 -4.075 -11.455 2.521 1.00 0.54 N ATOM 1053 CA THR A2117 -4.585 -10.976 3.797 1.00 0.59 C ATOM 1054 C THR A2117 -4.011 -9.605 4.107 1.00 0.50 C ATOM 1055 O THR A2117 -4.245 -9.041 5.171 1.00 0.54 O ATOM 1056 CB THR A2117 -4.234 -11.949 4.931 1.00 0.73 C ATOM 1057 OG1 THR A2117 -2.890 -12.424 4.761 1.00 0.74 O ATOM 1058 CG2 THR A2117 -5.202 -13.118 4.956 1.00 0.86 C ATOM 0 H THR A2117 -3.145 -11.871 2.576 1.00 0.54 H new ATOM 0 HA THR A2117 -5.670 -10.908 3.722 1.00 0.59 H new ATOM 0 HB THR A2117 -4.313 -11.421 5.881 1.00 0.73 H new ATOM 0 HG1 THR A2117 -2.668 -13.044 5.487 1.00 0.74 H new ATOM 0 HG21 THR A2117 -4.934 -13.795 5.767 1.00 0.86 H new ATOM 0 HG22 THR A2117 -6.215 -12.748 5.112 1.00 0.86 H new ATOM 0 HG23 THR A2117 -5.152 -13.652 4.007 1.00 0.86 H new ATOM 1066 N LEU A2118 -3.242 -9.107 3.154 1.00 0.45 N ATOM 1067 CA LEU A2118 -2.607 -7.798 3.220 1.00 0.45 C ATOM 1068 C LEU A2118 -3.514 -6.734 3.843 1.00 0.41 C ATOM 1069 O LEU A2118 -3.219 -6.199 4.914 1.00 0.43 O ATOM 1070 CB LEU A2118 -2.233 -7.397 1.795 1.00 0.49 C ATOM 1071 CG LEU A2118 -1.068 -6.427 1.642 1.00 0.40 C ATOM 1072 CD1 LEU A2118 -1.559 -4.996 1.645 1.00 0.70 C ATOM 1073 CD2 LEU A2118 -0.037 -6.655 2.731 1.00 0.65 C ATOM 0 H LEU A2118 -3.036 -9.612 2.292 1.00 0.45 H new ATOM 0 HA LEU A2118 -1.728 -7.864 3.861 1.00 0.45 H new ATOM 0 HB2 LEU A2118 -1.997 -8.303 1.237 1.00 0.49 H new ATOM 0 HB3 LEU A2118 -3.110 -6.952 1.325 1.00 0.49 H new ATOM 0 HG LEU A2118 -0.588 -6.613 0.681 1.00 0.40 H new ATOM 0 HD11 LEU A2118 -0.711 -4.320 1.535 1.00 0.70 H new ATOM 0 HD12 LEU A2118 -2.252 -4.847 0.817 1.00 0.70 H new ATOM 0 HD13 LEU A2118 -2.069 -4.788 2.586 1.00 0.70 H new ATOM 0 HD21 LEU A2118 0.787 -5.953 2.605 1.00 0.65 H new ATOM 0 HD22 LEU A2118 -0.498 -6.501 3.707 1.00 0.65 H new ATOM 0 HD23 LEU A2118 0.342 -7.675 2.665 1.00 0.65 H new ATOM 1085 N ILE A2119 -4.619 -6.442 3.168 1.00 0.38 N ATOM 1086 CA ILE A2119 -5.545 -5.406 3.614 1.00 0.40 C ATOM 1087 C ILE A2119 -6.349 -5.880 4.821 1.00 0.42 C ATOM 1088 O ILE A2119 -6.810 -5.080 5.631 1.00 0.50 O ATOM 1089 CB ILE A2119 -6.507 -5.004 2.474 1.00 0.42 C ATOM 1090 CG1 ILE A2119 -5.713 -4.633 1.222 1.00 0.40 C ATOM 1091 CG2 ILE A2119 -7.403 -3.846 2.894 1.00 0.42 C ATOM 1092 CD1 ILE A2119 -4.810 -3.437 1.406 1.00 0.33 C ATOM 0 H ILE A2119 -4.897 -6.910 2.306 1.00 0.38 H new ATOM 0 HA ILE A2119 -4.956 -4.536 3.903 1.00 0.40 H new ATOM 0 HB ILE A2119 -7.145 -5.859 2.250 1.00 0.42 H new ATOM 0 HG12 ILE A2119 -5.110 -5.489 0.919 1.00 0.40 H new ATOM 0 HG13 ILE A2119 -6.409 -4.429 0.408 1.00 0.40 H new ATOM 0 HG21 ILE A2119 -8.069 -3.585 2.072 1.00 0.42 H new ATOM 0 HG22 ILE A2119 -7.995 -4.140 3.761 1.00 0.42 H new ATOM 0 HG23 ILE A2119 -6.787 -2.984 3.150 1.00 0.42 H new ATOM 0 HD11 ILE A2119 -4.280 -3.235 0.475 1.00 0.33 H new ATOM 0 HD12 ILE A2119 -5.408 -2.568 1.679 1.00 0.33 H new ATOM 0 HD13 ILE A2119 -4.089 -3.644 2.197 1.00 0.33 H new ATOM 1104 N PHE A2120 -6.491 -7.190 4.943 1.00 0.46 N ATOM 1105 CA PHE A2120 -7.222 -7.788 6.046 1.00 0.53 C ATOM 1106 C PHE A2120 -6.494 -7.535 7.362 1.00 0.52 C ATOM 1107 O PHE A2120 -7.119 -7.308 8.399 1.00 0.60 O ATOM 1108 CB PHE A2120 -7.370 -9.295 5.810 1.00 0.61 C ATOM 1109 CG PHE A2120 -8.288 -9.660 4.672 1.00 1.47 C ATOM 1110 CD1 PHE A2120 -9.473 -10.342 4.903 1.00 1.67 C ATOM 1111 CD2 PHE A2120 -7.966 -9.311 3.370 1.00 2.50 C ATOM 1112 CE1 PHE A2120 -10.316 -10.671 3.860 1.00 2.55 C ATOM 1113 CE2 PHE A2120 -8.807 -9.638 2.323 1.00 3.49 C ATOM 1114 CZ PHE A2120 -9.983 -10.346 2.578 1.00 3.43 C ATOM 0 H PHE A2120 -6.104 -7.865 4.283 1.00 0.46 H new ATOM 0 HA PHE A2120 -8.211 -7.334 6.103 1.00 0.53 H new ATOM 0 HB2 PHE A2120 -6.385 -9.718 5.616 1.00 0.61 H new ATOM 0 HB3 PHE A2120 -7.742 -9.759 6.724 1.00 0.61 H new ATOM 0 HD1 PHE A2120 -9.740 -10.620 5.912 1.00 1.67 H new ATOM 0 HD2 PHE A2120 -7.048 -8.778 3.171 1.00 2.50 H new ATOM 0 HE1 PHE A2120 -11.243 -11.188 4.060 1.00 2.55 H new ATOM 0 HE2 PHE A2120 -8.556 -9.348 1.314 1.00 3.49 H new ATOM 0 HZ PHE A2120 -10.628 -10.636 1.762 1.00 3.43 H new ATOM 1124 N ASP A2121 -5.171 -7.563 7.303 1.00 0.48 N ATOM 1125 CA ASP A2121 -4.341 -7.417 8.490 1.00 0.49 C ATOM 1126 C ASP A2121 -3.989 -5.965 8.783 1.00 0.45 C ATOM 1127 O ASP A2121 -4.056 -5.532 9.930 1.00 0.51 O ATOM 1128 CB ASP A2121 -3.053 -8.230 8.343 1.00 0.50 C ATOM 1129 CG ASP A2121 -3.207 -9.663 8.805 1.00 1.20 C ATOM 1130 OD1 ASP A2121 -2.985 -9.929 10.005 1.00 1.42 O ATOM 1131 OD2 ASP A2121 -3.538 -10.535 7.971 1.00 2.00 O ATOM 0 H ASP A2121 -4.645 -7.687 6.438 1.00 0.48 H new ATOM 0 HA ASP A2121 -4.927 -7.793 9.329 1.00 0.49 H new ATOM 0 HB2 ASP A2121 -2.741 -8.221 7.299 1.00 0.50 H new ATOM 0 HB3 ASP A2121 -2.259 -7.751 8.917 1.00 0.50 H new ATOM 1136 N HIS A2122 -3.605 -5.207 7.758 1.00 0.38 N ATOM 1137 CA HIS A2122 -3.095 -3.850 7.988 1.00 0.37 C ATOM 1138 C HIS A2122 -3.811 -2.819 7.124 1.00 0.34 C ATOM 1139 O HIS A2122 -3.180 -2.202 6.267 1.00 0.32 O ATOM 1140 CB HIS A2122 -1.588 -3.759 7.673 1.00 0.35 C ATOM 1141 CG HIS A2122 -0.808 -5.002 7.961 1.00 0.45 C ATOM 1142 ND1 HIS A2122 -0.380 -5.350 9.222 1.00 0.63 N ATOM 1143 CD2 HIS A2122 -0.380 -5.987 7.133 1.00 0.51 C ATOM 1144 CE1 HIS A2122 0.276 -6.491 9.162 1.00 0.71 C ATOM 1145 NE2 HIS A2122 0.292 -6.900 7.905 1.00 0.63 N ATOM 0 H HIS A2122 -3.634 -5.497 6.780 1.00 0.38 H new ATOM 0 HA HIS A2122 -3.276 -3.636 9.041 1.00 0.37 H new ATOM 0 HB2 HIS A2122 -1.467 -3.507 6.619 1.00 0.35 H new ATOM 0 HB3 HIS A2122 -1.160 -2.938 8.248 1.00 0.35 H new ATOM 0 HD2 HIS A2122 -0.539 -6.042 6.066 1.00 0.51 H new ATOM 0 HE1 HIS A2122 0.725 -7.005 9.999 1.00 0.71 H new ATOM 0 HE2 HIS A2122 0.732 -7.755 7.565 1.00 0.63 H new ATOM 1154 N PRO A2123 -5.121 -2.593 7.298 1.00 0.36 N ATOM 1155 CA PRO A2123 -5.799 -1.613 6.475 1.00 0.34 C ATOM 1156 C PRO A2123 -5.633 -0.183 6.990 1.00 0.32 C ATOM 1157 O PRO A2123 -6.241 0.206 7.984 1.00 0.36 O ATOM 1158 CB PRO A2123 -7.261 -2.046 6.569 1.00 0.40 C ATOM 1159 CG PRO A2123 -7.390 -2.752 7.883 1.00 0.43 C ATOM 1160 CD PRO A2123 -6.014 -3.234 8.276 1.00 0.41 C ATOM 0 HA PRO A2123 -5.400 -1.587 5.461 1.00 0.34 H new ATOM 0 HB2 PRO A2123 -7.928 -1.186 6.520 1.00 0.40 H new ATOM 0 HB3 PRO A2123 -7.528 -2.705 5.743 1.00 0.40 H new ATOM 0 HG2 PRO A2123 -7.792 -2.080 8.641 1.00 0.43 H new ATOM 0 HG3 PRO A2123 -8.081 -3.591 7.801 1.00 0.43 H new ATOM 0 HD2 PRO A2123 -5.765 -2.942 9.296 1.00 0.41 H new ATOM 0 HD3 PRO A2123 -5.943 -4.321 8.229 1.00 0.41 H new ATOM 1168 N THR A2124 -4.808 0.566 6.267 1.00 0.27 N ATOM 1169 CA THR A2124 -4.695 2.025 6.315 1.00 0.23 C ATOM 1170 C THR A2124 -3.681 2.396 5.248 1.00 0.22 C ATOM 1171 O THR A2124 -2.890 1.533 4.853 1.00 0.26 O ATOM 1172 CB THR A2124 -4.203 2.614 7.666 1.00 0.31 C ATOM 1173 OG1 THR A2124 -3.166 1.811 8.205 1.00 0.50 O ATOM 1174 CG2 THR A2124 -5.313 2.762 8.689 1.00 0.29 C ATOM 0 H THR A2124 -4.163 0.152 5.594 1.00 0.27 H new ATOM 0 HA THR A2124 -5.694 2.436 6.168 1.00 0.23 H new ATOM 0 HB THR A2124 -3.829 3.614 7.448 1.00 0.31 H new ATOM 0 HG1 THR A2124 -2.864 2.194 9.055 1.00 0.50 H new ATOM 0 HG21 THR A2124 -4.906 3.178 9.610 1.00 0.29 H new ATOM 0 HG22 THR A2124 -6.081 3.429 8.298 1.00 0.29 H new ATOM 0 HG23 THR A2124 -5.751 1.785 8.895 1.00 0.29 H new ATOM 1182 N PRO A2125 -3.650 3.629 4.747 1.00 0.19 N ATOM 1183 CA PRO A2125 -2.548 4.047 3.894 1.00 0.18 C ATOM 1184 C PRO A2125 -1.231 3.978 4.675 1.00 0.17 C ATOM 1185 O PRO A2125 -0.200 3.548 4.157 1.00 0.20 O ATOM 1186 CB PRO A2125 -2.891 5.488 3.509 1.00 0.22 C ATOM 1187 CG PRO A2125 -4.343 5.652 3.827 1.00 0.25 C ATOM 1188 CD PRO A2125 -4.654 4.682 4.934 1.00 0.24 C ATOM 0 HA PRO A2125 -2.421 3.414 3.016 1.00 0.18 H new ATOM 0 HB2 PRO A2125 -2.284 6.199 4.069 1.00 0.22 H new ATOM 0 HB3 PRO A2125 -2.698 5.668 2.451 1.00 0.22 H new ATOM 0 HG2 PRO A2125 -4.559 6.675 4.136 1.00 0.25 H new ATOM 0 HG3 PRO A2125 -4.957 5.448 2.950 1.00 0.25 H new ATOM 0 HD2 PRO A2125 -4.570 5.150 5.915 1.00 0.24 H new ATOM 0 HD3 PRO A2125 -5.668 4.291 4.854 1.00 0.24 H new ATOM 1196 N HIS A2126 -1.305 4.369 5.950 1.00 0.23 N ATOM 1197 CA HIS A2126 -0.152 4.361 6.849 1.00 0.31 C ATOM 1198 C HIS A2126 0.407 2.956 7.070 1.00 0.29 C ATOM 1199 O HIS A2126 1.589 2.723 6.840 1.00 0.32 O ATOM 1200 CB HIS A2126 -0.530 4.978 8.201 1.00 0.45 C ATOM 1201 CG HIS A2126 0.582 4.985 9.211 1.00 0.58 C ATOM 1202 ND1 HIS A2126 1.811 5.568 8.985 1.00 0.65 N ATOM 1203 CD2 HIS A2126 0.642 4.466 10.460 1.00 0.71 C ATOM 1204 CE1 HIS A2126 2.577 5.404 10.049 1.00 0.77 C ATOM 1205 NE2 HIS A2126 1.891 4.741 10.957 1.00 0.80 N ATOM 0 H HIS A2126 -2.166 4.699 6.386 1.00 0.23 H new ATOM 0 HA HIS A2126 0.626 4.956 6.371 1.00 0.31 H new ATOM 0 HB2 HIS A2126 -0.864 6.003 8.039 1.00 0.45 H new ATOM 0 HB3 HIS A2126 -1.376 4.429 8.614 1.00 0.45 H new ATOM 0 HD2 HIS A2126 -0.147 3.934 10.971 1.00 0.71 H new ATOM 0 HE1 HIS A2126 3.593 5.754 10.156 1.00 0.77 H new ATOM 0 HE2 HIS A2126 2.233 4.475 11.880 1.00 0.80 H new ATOM 1214 N ALA A2127 -0.435 2.031 7.524 1.00 0.28 N ATOM 1215 CA ALA A2127 0.031 0.699 7.909 1.00 0.29 C ATOM 1216 C ALA A2127 0.704 -0.019 6.748 1.00 0.26 C ATOM 1217 O ALA A2127 1.724 -0.688 6.927 1.00 0.30 O ATOM 1218 CB ALA A2127 -1.116 -0.136 8.455 1.00 0.34 C ATOM 0 H ALA A2127 -1.438 2.177 7.634 1.00 0.28 H new ATOM 0 HA ALA A2127 0.775 0.829 8.695 1.00 0.29 H new ATOM 0 HB1 ALA A2127 -0.747 -1.123 8.735 1.00 0.34 H new ATOM 0 HB2 ALA A2127 -1.539 0.355 9.331 1.00 0.34 H new ATOM 0 HB3 ALA A2127 -1.886 -0.240 7.691 1.00 0.34 H new ATOM 1224 N LEU A2128 0.145 0.123 5.555 1.00 0.22 N ATOM 1225 CA LEU A2128 0.741 -0.479 4.381 1.00 0.21 C ATOM 1226 C LEU A2128 2.071 0.182 4.055 1.00 0.21 C ATOM 1227 O LEU A2128 3.006 -0.482 3.612 1.00 0.23 O ATOM 1228 CB LEU A2128 -0.202 -0.388 3.191 1.00 0.21 C ATOM 1229 CG LEU A2128 -1.482 -1.202 3.335 1.00 0.37 C ATOM 1230 CD1 LEU A2128 -2.207 -1.271 2.006 1.00 0.60 C ATOM 1231 CD2 LEU A2128 -1.169 -2.594 3.864 1.00 0.64 C ATOM 0 H LEU A2128 -0.713 0.646 5.379 1.00 0.22 H new ATOM 0 HA LEU A2128 0.923 -1.532 4.596 1.00 0.21 H new ATOM 0 HB2 LEU A2128 -0.467 0.657 3.033 1.00 0.21 H new ATOM 0 HB3 LEU A2128 0.327 -0.721 2.298 1.00 0.21 H new ATOM 0 HG LEU A2128 -2.137 -0.710 4.055 1.00 0.37 H new ATOM 0 HD11 LEU A2128 -3.120 -1.855 2.120 1.00 0.60 H new ATOM 0 HD12 LEU A2128 -2.459 -0.263 1.676 1.00 0.60 H new ATOM 0 HD13 LEU A2128 -1.563 -1.745 1.265 1.00 0.60 H new ATOM 0 HD21 LEU A2128 -2.094 -3.163 3.961 1.00 0.64 H new ATOM 0 HD22 LEU A2128 -0.500 -3.105 3.171 1.00 0.64 H new ATOM 0 HD23 LEU A2128 -0.689 -2.513 4.839 1.00 0.64 H new ATOM 1243 N THR A2129 2.151 1.486 4.295 1.00 0.21 N ATOM 1244 CA THR A2129 3.390 2.231 4.114 1.00 0.24 C ATOM 1245 C THR A2129 4.522 1.590 4.908 1.00 0.25 C ATOM 1246 O THR A2129 5.646 1.457 4.424 1.00 0.33 O ATOM 1247 CB THR A2129 3.226 3.705 4.553 1.00 0.27 C ATOM 1248 OG1 THR A2129 2.265 4.368 3.722 1.00 0.27 O ATOM 1249 CG2 THR A2129 4.547 4.456 4.493 1.00 0.32 C ATOM 0 H THR A2129 1.366 2.052 4.618 1.00 0.21 H new ATOM 0 HA THR A2129 3.634 2.207 3.052 1.00 0.24 H new ATOM 0 HB THR A2129 2.878 3.701 5.586 1.00 0.27 H new ATOM 0 HG1 THR A2129 1.365 4.049 3.944 1.00 0.27 H new ATOM 0 HG21 THR A2129 4.393 5.488 4.808 1.00 0.32 H new ATOM 0 HG22 THR A2129 5.268 3.978 5.156 1.00 0.32 H new ATOM 0 HG23 THR A2129 4.928 4.441 3.472 1.00 0.32 H new ATOM 1257 N GLN A2130 4.200 1.165 6.114 1.00 0.25 N ATOM 1258 CA GLN A2130 5.181 0.551 6.999 1.00 0.28 C ATOM 1259 C GLN A2130 5.506 -0.856 6.522 1.00 0.23 C ATOM 1260 O GLN A2130 6.675 -1.232 6.408 1.00 0.22 O ATOM 1261 CB GLN A2130 4.666 0.489 8.440 1.00 0.38 C ATOM 1262 CG GLN A2130 3.613 1.532 8.769 1.00 0.52 C ATOM 1263 CD GLN A2130 3.192 1.511 10.224 1.00 1.39 C ATOM 1264 OE1 GLN A2130 2.035 1.770 10.547 1.00 2.22 O ATOM 1265 NE2 GLN A2130 4.131 1.244 11.117 1.00 1.90 N ATOM 0 H GLN A2130 3.262 1.233 6.509 1.00 0.25 H new ATOM 0 HA GLN A2130 6.081 1.166 6.977 1.00 0.28 H new ATOM 0 HB2 GLN A2130 4.250 -0.502 8.623 1.00 0.38 H new ATOM 0 HB3 GLN A2130 5.508 0.612 9.121 1.00 0.38 H new ATOM 0 HG2 GLN A2130 4.000 2.521 8.523 1.00 0.52 H new ATOM 0 HG3 GLN A2130 2.738 1.367 8.141 1.00 0.52 H new ATOM 0 HE21 GLN A2130 5.081 1.033 10.811 1.00 1.90 H new ATOM 0 HE22 GLN A2130 3.905 1.249 12.112 1.00 1.90 H new ATOM 1274 N HIS A2131 4.463 -1.628 6.232 1.00 0.25 N ATOM 1275 CA HIS A2131 4.637 -3.004 5.788 1.00 0.27 C ATOM 1276 C HIS A2131 5.458 -3.053 4.507 1.00 0.26 C ATOM 1277 O HIS A2131 6.435 -3.794 4.420 1.00 0.30 O ATOM 1278 CB HIS A2131 3.286 -3.699 5.573 1.00 0.32 C ATOM 1279 CG HIS A2131 3.420 -5.103 5.053 1.00 0.40 C ATOM 1280 ND1 HIS A2131 4.050 -6.114 5.750 1.00 0.52 N ATOM 1281 CD2 HIS A2131 3.042 -5.646 3.873 1.00 0.42 C ATOM 1282 CE1 HIS A2131 4.061 -7.210 5.018 1.00 0.59 C ATOM 1283 NE2 HIS A2131 3.453 -6.955 3.878 1.00 0.53 N ATOM 0 H HIS A2131 3.492 -1.324 6.297 1.00 0.25 H new ATOM 0 HA HIS A2131 5.172 -3.538 6.574 1.00 0.27 H new ATOM 0 HB2 HIS A2131 2.740 -3.718 6.516 1.00 0.32 H new ATOM 0 HB3 HIS A2131 2.691 -3.114 4.872 1.00 0.32 H new ATOM 0 HD1 HIS A2131 4.446 -6.027 6.686 1.00 0.52 H new ATOM 0 HD2 HIS A2131 2.515 -5.143 3.076 1.00 0.42 H new ATOM 0 HE1 HIS A2131 4.495 -8.157 5.304 1.00 0.59 H new ATOM 1292 N LEU A2132 5.070 -2.252 3.521 1.00 0.27 N ATOM 1293 CA LEU A2132 5.759 -2.238 2.239 1.00 0.33 C ATOM 1294 C LEU A2132 7.159 -1.659 2.377 1.00 0.35 C ATOM 1295 O LEU A2132 8.056 -2.021 1.623 1.00 0.47 O ATOM 1296 CB LEU A2132 4.961 -1.468 1.179 1.00 0.36 C ATOM 1297 CG LEU A2132 3.869 -2.271 0.453 1.00 0.42 C ATOM 1298 CD1 LEU A2132 4.445 -3.542 -0.152 1.00 0.48 C ATOM 1299 CD2 LEU A2132 2.716 -2.606 1.389 1.00 0.42 C ATOM 0 H LEU A2132 4.284 -1.606 3.586 1.00 0.27 H new ATOM 0 HA LEU A2132 5.846 -3.272 1.907 1.00 0.33 H new ATOM 0 HB2 LEU A2132 4.495 -0.606 1.656 1.00 0.36 H new ATOM 0 HB3 LEU A2132 5.658 -1.082 0.435 1.00 0.36 H new ATOM 0 HG LEU A2132 3.481 -1.647 -0.353 1.00 0.42 H new ATOM 0 HD11 LEU A2132 3.654 -4.094 -0.660 1.00 0.48 H new ATOM 0 HD12 LEU A2132 5.225 -3.283 -0.868 1.00 0.48 H new ATOM 0 HD13 LEU A2132 4.869 -4.161 0.638 1.00 0.48 H new ATOM 0 HD21 LEU A2132 1.960 -3.174 0.846 1.00 0.42 H new ATOM 0 HD22 LEU A2132 3.086 -3.200 2.224 1.00 0.42 H new ATOM 0 HD23 LEU A2132 2.275 -1.684 1.767 1.00 0.42 H new ATOM 1311 N HIS A2133 7.354 -0.775 3.350 1.00 0.28 N ATOM 1312 CA HIS A2133 8.680 -0.237 3.620 1.00 0.34 C ATOM 1313 C HIS A2133 9.613 -1.367 4.045 1.00 0.38 C ATOM 1314 O HIS A2133 10.727 -1.487 3.541 1.00 0.55 O ATOM 1315 CB HIS A2133 8.603 0.846 4.700 1.00 0.36 C ATOM 1316 CG HIS A2133 9.924 1.447 5.067 1.00 0.47 C ATOM 1317 ND1 HIS A2133 10.420 1.438 6.349 1.00 0.59 N ATOM 1318 CD2 HIS A2133 10.838 2.099 4.315 1.00 0.53 C ATOM 1319 CE1 HIS A2133 11.581 2.061 6.373 1.00 0.67 C ATOM 1320 NE2 HIS A2133 11.864 2.471 5.149 1.00 0.63 N ATOM 0 H HIS A2133 6.617 -0.419 3.959 1.00 0.28 H new ATOM 0 HA HIS A2133 9.077 0.220 2.714 1.00 0.34 H new ATOM 0 HB2 HIS A2133 7.940 1.639 4.355 1.00 0.36 H new ATOM 0 HB3 HIS A2133 8.151 0.418 5.595 1.00 0.36 H new ATOM 0 HD2 HIS A2133 10.774 2.292 3.254 1.00 0.53 H new ATOM 0 HE1 HIS A2133 12.198 2.211 7.247 1.00 0.67 H new ATOM 0 HE2 HIS A2133 12.704 2.979 4.870 1.00 0.63 H new ATOM 1329 N THR A2134 9.126 -2.204 4.952 1.00 0.32 N ATOM 1330 CA THR A2134 9.860 -3.367 5.414 1.00 0.43 C ATOM 1331 C THR A2134 10.042 -4.372 4.279 1.00 0.51 C ATOM 1332 O THR A2134 11.083 -5.010 4.160 1.00 0.66 O ATOM 1333 CB THR A2134 9.101 -4.028 6.579 1.00 0.55 C ATOM 1334 OG1 THR A2134 8.693 -3.021 7.514 1.00 0.59 O ATOM 1335 CG2 THR A2134 9.968 -5.051 7.288 1.00 0.74 C ATOM 0 H THR A2134 8.210 -2.092 5.386 1.00 0.32 H new ATOM 0 HA THR A2134 10.844 -3.047 5.755 1.00 0.43 H new ATOM 0 HB THR A2134 8.228 -4.540 6.173 1.00 0.55 H new ATOM 0 HG1 THR A2134 7.911 -2.546 7.163 1.00 0.59 H new ATOM 0 HG21 THR A2134 9.405 -5.501 8.106 1.00 0.74 H new ATOM 0 HG22 THR A2134 10.266 -5.827 6.583 1.00 0.74 H new ATOM 0 HG23 THR A2134 10.857 -4.561 7.686 1.00 0.74 H new ATOM 1343 N ARG A2135 9.030 -4.489 3.430 1.00 0.52 N ATOM 1344 CA ARG A2135 9.079 -5.405 2.298 1.00 0.71 C ATOM 1345 C ARG A2135 10.168 -5.006 1.304 1.00 0.88 C ATOM 1346 O ARG A2135 10.692 -5.844 0.579 1.00 1.12 O ATOM 1347 CB ARG A2135 7.740 -5.427 1.570 1.00 0.76 C ATOM 1348 CG ARG A2135 6.590 -5.959 2.399 1.00 0.74 C ATOM 1349 CD ARG A2135 6.840 -7.381 2.863 1.00 0.86 C ATOM 1350 NE ARG A2135 7.517 -7.451 4.155 1.00 1.75 N ATOM 1351 CZ ARG A2135 8.021 -8.578 4.660 1.00 2.11 C ATOM 1352 NH1 ARG A2135 7.991 -9.700 3.950 1.00 1.86 N ATOM 1353 NH2 ARG A2135 8.547 -8.584 5.875 1.00 3.18 N ATOM 0 H ARG A2135 8.162 -3.959 3.504 1.00 0.52 H new ATOM 0 HA ARG A2135 9.304 -6.395 2.695 1.00 0.71 H new ATOM 0 HB2 ARG A2135 7.500 -4.415 1.244 1.00 0.76 H new ATOM 0 HB3 ARG A2135 7.838 -6.037 0.672 1.00 0.76 H new ATOM 0 HG2 ARG A2135 6.438 -5.315 3.266 1.00 0.74 H new ATOM 0 HG3 ARG A2135 5.672 -5.924 1.812 1.00 0.74 H new ATOM 0 HD2 ARG A2135 5.888 -7.908 2.929 1.00 0.86 H new ATOM 0 HD3 ARG A2135 7.441 -7.900 2.116 1.00 0.86 H new ATOM 0 HE ARG A2135 7.609 -6.593 4.700 1.00 1.75 H new ATOM 0 HH11 ARG A2135 7.582 -9.702 3.016 1.00 1.86 H new ATOM 0 HH12 ARG A2135 8.377 -10.560 4.339 1.00 1.86 H new ATOM 0 HH21 ARG A2135 8.567 -7.726 6.426 1.00 3.18 H new ATOM 0 HH22 ARG A2135 8.932 -9.447 6.260 1.00 3.18 H new